Geometry & MOs

Info

ID:	38687
PubChem CID:	8137522
Reduced:	SN3O4C14H19 (1)
Stoich.:	AB3C4D14E19 (1)
Weight, g/mol:	359.141596
ΔH_f, kcal/mol:	-124.32
Dipole, Da:	7.1
IP(EA), eV:	-9.95(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-2-[[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide

Drug info:

PubChemData

Smile

CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC(=O)NC2CC2

DOS

IR

Vibrations