Geometry & MOs

Info

ID:	43548
PubChem CID:	10321455
Reduced:	SiO5C25H40 (1)
Stoich.:	AB5C25D40 (1)
Weight, g/mol:	448.366493
ΔH_f, kcal/mol:	-293.91
Dipole, Da:	2.76
IP(EA), eV:	-9.04(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(5S,6R,10R,13R,17R)-3-(2-aminoethylamino)-6-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate

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@H]1C=CC2=C[C@@H]([C@@H](C(=O)[C@@H]2[C@H]1CC[C@@H]3C[C@H](CC(=O)O3)O[Si](C)(C)C(C)(C)C)O)C

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@H]1C=CC2=C[C@@H]([C@@H](C(=O)[C@@H]2[C@H]1CC[C@@H]3C[C@H](CC(=O)O3)O[Si](C)(C)C(C)(C)C)O)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):