Geometry & MOs

Info

ID:	54368
PubChem CID:	17137005
Reduced:	SO4N5H17C18 (1)
Stoich.:	AB4C5D17E18 (1)
Weight, g/mol:	414.136176
ΔH_f, kcal/mol:	16.13
Dipole, Da:	8.81
IP(EA), eV:	-9.46(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethoxyphenyl)-2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

COCC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations