Geometry & MOs

Info

ID:	148658
PubChem CID:	53788326
Reduced:	SN2O2C28H38 (1)
Stoich.:	AB2C2D28E38 (1)
Weight, g/mol:	330.219495
ΔH_f, kcal/mol:	-68.43
Dipole, Da:	3.15
IP(EA), eV:	-8.49(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C(=O)N(C2=CC=CC=C2S1)C)C3=CC=C(C=C3)OCCCCCN(C)C4CCCCC4

DOS

IR

Vibrations