Geometry & MOs

Info

ID:	127307
PubChem CID:	50997727
Reduced:	N3O3C13H15 (2)
Stoich.:	A3B3C13D15 (2)
Weight, g/mol:	491.956208
ΔH_f, kcal/mol:	-172.26
Dipole, Da:	3.18
IP(EA), eV:	-9.08(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-N-(2,2,2-trichloroethyl)benzimidazole-1-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)CN(C)C(=O)C1=CC(=CC=C1)N2CCO[C@@H](C2=O)[C@H](C(=O)NC3=CC4=C(C=C3)C(=NC4)N)O

DOS

IR

Vibrations