Geometry & MOs

Info

ID:	156308
PubChem CID:	56370042
Reduced:	Cl2N2O5C22H26 (1)
Stoich.:	A2B2C5D22E26 (1)
Weight, g/mol:	377.9883
ΔH_f, kcal/mol:	-196.42
Dipole, Da:	3.53
IP(EA), eV:	-9.56(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1H-benzimidazol-2-yl)ethyl]-5-bromo-2-chloropyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NCC(COC1=C(C(=CC=C1)Cl)Cl)O)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations