Geometry & MOs

Info

ID:	38013
PubChem CID:	8026394
Reduced:	SO2N4C22H24 (1)
Stoich.:	AB2C4D22E24 (1)
Weight, g/mol:	350.09498
ΔH_f, kcal/mol:	31.01
Dipole, Da:	3.29
IP(EA), eV:	-8.86(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1H-benzimidazol-2-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Drug info:

PubChemData

Smile

CN1C(=NN=C1SCC(=O)N[C@H](C2=CC=CC=C2)C3=CC=C(C=C3)OC)C4CC4

DOS

IR

Vibrations