Geometry & MOs

Info

ID:	388849
PubChem CID:	134990404
Reduced:	NO4C24H29 (1)
Stoich.:	AB4C24D29 (1)
Weight, g/mol:	405.243457
ΔH_f, kcal/mol:	-159.77
Dipole, Da:	1.25
IP(EA), eV:	-9.41(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(8R,9S,10R,13S,14S)-3-ethoxy-10,13-dimethyl-17-oxo-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-6-yl]methylidene-dimethylazanium;chloride

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

CC1(N([C@@H]2[C@H](O1)CC3=CC=CC=C23)C(=O)[C@H](CC4=CC=CC=C4)C[C@@H](CO)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

CC1(N([C@@H]2[C@H](O1)CC3=CC=CC=C23)C(=O)[C@H](CC4=CC=CC=C4)C[C@@H](CO)O)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):