Geometry & MOs

Info

ID:	196003
PubChem CID:	78764383
Reduced:	O2S2N3C17H17 (1)
Stoich.:	A2B2C3D17E17 (1)
Weight, g/mol:	384.10046
ΔH_f, kcal/mol:	-15.28
Dipole, Da:	3.14
IP(EA), eV:	-8.96(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=O)C2=C(N=C1SCC3=CC=C(C=C3)C(=O)N(C)C)SC=C2

DOS

IR

Vibrations