Geometry & MOs

Info

ID:	229937
PubChem CID:	87569591
Reduced:	SCl2O2N3H7C11 (1)
Stoich.:	AB2C2D3E7F11 (1)
Weight, g/mol:	349.240565
ΔH_f, kcal/mol:	4.5
Dipole, Da:	7.0
IP(EA), eV:	-9.56(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8R,9R,10R,13S,14R)-3-methoxy-10,13,17-trimethyl-15,16-dimethylidene-1,2,7,8,9,11,12,14-octahydrocyclopenta[a]phenanthrene-17-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC2(C(=CSN2C#N)Cl)Cl)C(=O)O

DOS

IR

Vibrations