Geometry & MOs

Info

ID:	187933
PubChem CID:	77645006
Reduced:	ClSN3O5C24H28 (1)
Stoich.:	ABC3D5E24F28 (1)
Weight, g/mol:	272.214016
ΔH_f, kcal/mol:	-165.06
Dipole, Da:	4.53
IP(EA), eV:	-9.72(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(10-methyl-4,5,6,9,11,12,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-13-yl)methanol

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=C(C=C(C=C1)C(CC2CCCC2)C(=O)NC3=NC=C(N=C3)C4C(=O)CCCO4)Cl

DOS

IR

Vibrations