Geometry & MOs

Info

ID:	162090
PubChem CID:	57393591
Reduced:	SN2O2H16C18 (1)
Stoich.:	AB2C2D16E18 (1)
Weight, g/mol:	340.24023
ΔH_f, kcal/mol:	4.27
Dipole, Da:	3.99
IP(EA), eV:	-8.52(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8S,9S,13S,14S)-17-butylidene-2-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-ol

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4CC4

DOS

IR

Vibrations