Geometry & MOs

Info

ID:	64194
PubChem CID:	29198177
Reduced:	N2O3H20C21 (1)
Stoich.:	A2B3C20D21 (1)
Weight, g/mol:	493.097538
ΔH_f, kcal/mol:	-49.46
Dipole, Da:	4.86
IP(EA), eV:	-9.36(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-benzyl-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-6-nitrophenyl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@H](CC(=O)NCC2=CC=CO2)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations