Geometry & MOs

Info

ID:	131672
PubChem CID:	51240918
Reduced:	N2O5C20H24 (1)
Stoich.:	A2B5C20D24 (1)
Weight, g/mol:	395.141596
ΔH_f, kcal/mol:	-159.1
Dipole, Da:	6.28
IP(EA), eV:	-9.14(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide

Drug info:

PubChemData

Smile

CC(CNC(=O)C1=CC(=C(C(=C1)OC)OCC(=O)N)OC)C2=CC=CC=C2

DOS

IR

Vibrations