Geometry & MOs

Info

ID:	169635
PubChem CID:	75130181
Reduced:	SO3N7H21C22 (1)
Stoich.:	AB3C7D21E22 (1)
Weight, g/mol:	455.056736
ΔH_f, kcal/mol:	35.13
Dipole, Da:	19.06
IP(EA), eV:	-9.53(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-(2-oxobenzimidazol-5-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)N2C=NN=C2SCC(=O)NCC(=O)NC3=CC4=NC(=O)N=C4C=C3

DOS

IR

Vibrations