Geometry & MOs

Info

ID:	43819
PubChem CID:	10321832
Reduced:	SN4O4C23H28 (1)
Stoich.:	AB4C4D23E28 (1)
Weight, g/mol:	456.251189
ΔH_f, kcal/mol:	-108.82
Dipole, Da:	7.36
IP(EA), eV:	-8.22(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-[(14R,17R)-4,4,10,13,14-pentamethyl-3,7,11,15-tetraoxo-2,5,6,12,16,17-hexahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

Drug info:

PubChemData

Smile

CCNCCOC1=CC=C(C=C1)NC2=NC(=C(S2)C(=O)C3=CC=CC(=C3)C)N.CC(=O)O

DOS

IR

Vibrations