Geometry & MOs

Info

ID:	196809
PubChem CID:	78881217
Reduced:	NOH8C9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	425.109251
ΔH_f, kcal/mol:	51.01
Dipole, Da:	3.47
IP(EA), eV:	-8.37(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations