Geometry & MOs

Info

ID:	230680
PubChem CID:	87571648
Reduced:	N2O8C27H42 (1)
Stoich.:	A2B8C27D42 (1)
Weight, g/mol:	406.283158
ΔH_f, kcal/mol:	-330.49
Dipole, Da:	2.83
IP(EA), eV:	-9.33(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,5S,6S,8R,9S,10R,13S,14S)-3-(2-aminoethoxyimino)-5,6-dihydroxy-4,4,10,13-tetramethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-one

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C[C@@H]([C@@]4([C@@]3(CC/C(=N\OCCN)/C4(C)C)C)O)O.C(=C/C(=O)O)\C(=O)O

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C[C@@H]([C@@]4([C@@]3(CC/C(=N\OCCN)/C4(C)C)C)O)O.C(=C/C(=O)O)\C(=O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):