Geometry & MOs

Info

ID:	223993
PubChem CID:	85336686
Reduced:	ClSO3N5H16C19 (1)
Stoich.:	ABC3D5E16F19 (1)
Weight, g/mol:	431.230788
ΔH_f, kcal/mol:	5.2
Dipole, Da:	7.94
IP(EA), eV:	-8.85(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(3-acetyloxy-10,13-dimethyl-17-oxo-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-7-ylidene)amino]oxyacetate

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C1C=NNC(=S)NC2=CC=CC(=C2)C(=O)O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations