Geometry & MOs

Info

ID:	194902
PubChem CID:	78606027
Reduced:	NSO3C16H17 (1)
Stoich.:	ABC3D16E17 (1)
Weight, g/mol:	379.146681
ΔH_f, kcal/mol:	-70.15
Dipole, Da:	4.73
IP(EA), eV:	-8.75(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C)C)C(=O)COC(=O)C=CC2=CC=CS2

DOS

IR

Vibrations