Geometry & MOs

Info

ID:	186572
PubChem CID:	77446223
Reduced:	ClNOC17H20 (1)
Stoich.:	ABCD17E20 (1)
Weight, g/mol:	568.13359
ΔH_f, kcal/mol:	-36.99
Dipole, Da:	2.53
IP(EA), eV:	-8.0(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-[4-[2-[1-(chloromethyl)-5-hydroxy-9-methyl-1,2-dihydrobenzo[e]indole-3-carbonyl]-1,3-thiazol-4-yl]phenyl]benzamide

Drug info:

PubChemData

Smile

CCC(C1CN(C2=C1C3=CC=CC=C3C(=C2)O)CC)Cl

DOS

IR

Vibrations