Geometry & MOs

Info

ID:	54364
PubChem CID:	17132880
Reduced:	OS2N4C19H20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	406.066653
ΔH_f, kcal/mol:	76.85
Dipole, Da:	5.4
IP(EA), eV:	-8.04(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=N)N(S1)C(=NC2=CC=C(C=C2)OC)NC3=CC(=CC=C3)SC

DOS

IR

Vibrations