Geometry & MOs

Info

ID:	54377
PubChem CID:	17137106
Reduced:	SO2N4C20H22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	402.091725
ΔH_f, kcal/mol:	8.97
Dipole, Da:	7.73
IP(EA), eV:	-8.79(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)CCSC2=NN=C(N2C3=CC=CC=C3)COC

DOS

IR

Vibrations