Geometry & MOs

Info

ID:	189783
PubChem CID:	77903585
Reduced:	S3O10N11C19H21 (1)
Stoich.:	A3B10C11D19E21 (1)
Weight, g/mol:	304.24023
ΔH_f, kcal/mol:	-237.01
Dipole, Da:	13.64
IP(EA), eV:	-9.5(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,10,13-trimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-4,17-diol

Drug info:

PubChemData

Smile

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=NSC(=N3)N)NC(=O)CC(C(=O)O)N)OC(=O)O)CSC4=NN=NN4CC(=O)O

DOS

IR

Vibrations