Geometry & MOs

Info

ID:	86098
PubChem CID:	49881829
Reduced:	OS2N4C21H24 (1)
Stoich.:	AB2C4D21E24 (1)
Weight, g/mol:	440.134068
ΔH_f, kcal/mol:	32.94
Dipole, Da:	5.82
IP(EA), eV:	-8.45(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyphenyl)-2-[[5-(phenylsulfanylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SC(C)C(=O)NC2=CC=C(C=C2)C)CSC3=CC=CC=C3

DOS

IR

Vibrations