Geometry & MOs

Info

ID:	195057
PubChem CID:	78628143
Reduced:	N3O3H23C24 (1)
Stoich.:	A3B3C23D24 (1)
Weight, g/mol:	394.182733
ΔH_f, kcal/mol:	-9.72
Dipole, Da:	6.35
IP(EA), eV:	-9.44(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-methylphenyl)methyl]propanamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=CC(=C2)C(=O)COC(=O)C=CC3=CN(N=N3)CC4=CC=CC=C4

DOS

IR

Vibrations