Geometry & MOs

Info

ID:	221739
PubChem CID:	85286094
Reduced:	BrNSO9H22C27 (1)
Stoich.:	ABCD9E22F27 (1)
Weight, g/mol:	615.111647
ΔH_f, kcal/mol:	-262.48
Dipole, Da:	2.54
IP(EA), eV:	-9.15(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-benzoyl-1H-benzimidazol-2-yl)-N-[4-[3-(2,4-dichlorophenyl)prop-2-enoyl]phenyl]benzamide

Drug info:

PubChemData

Smile

COC(=O)C=C(C(=O)OC)SC1=CC=CC=C1N2C=C(C(=C2C(=O)C3=CC=C(C=C3)Br)C(=O)OC)C(=O)OC

DOS

IR

Vibrations