Geometry & MOs

Info

ID:	161937
PubChem CID:	57393116
Reduced:	N2O4C29H38 (1)
Stoich.:	A2B4C29D38 (1)
Weight, g/mol:	380.181001
ΔH_f, kcal/mol:	-146.16
Dipole, Da:	5.52
IP(EA), eV:	-8.22(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8R,9S,13S,14S,17R)-13-methyl-17-[(E)-2-thiophen-3-ylethenyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(CNC2=CC=C(C=C2)CCNCC(C3=CC(=C(C=C3)O)CO)O)O

DOS

IR

Vibrations