Geometry & MOs

Info

ID:	339185
PubChem CID:	127260564
Reduced:	N2O2C19H28 (1)
Stoich.:	A2B2C19D28 (1)
Weight, g/mol:	386.17631
ΔH_f, kcal/mol:	-38.77
Dipole, Da:	2.35
IP(EA), eV:	-9.05(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,8R,9S,10R,13S,14S,16R,17R)-16,17-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate

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(=N\O)/C=C1CC[C@@H]3[C@@H]2CC[C@]\4([C@H]3CC/C4=N\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@]12CC/C(=N\O)/C=C1CC[C@@H]3[C@@H]2CC[C@]\4([C@H]3CC/C4=N\O)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):