Geometry & MOs

Info

ID:	120976
PubChem CID:	50752120
Reduced:	SN3O4C25H27 (1)
Stoich.:	AB3C4D25E27 (1)
Weight, g/mol:	368.104003
ΔH_f, kcal/mol:	-92.05
Dipole, Da:	4.71
IP(EA), eV:	-8.39(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]propanamide

Drug info:

PubChemData

Smile

CCN1C(=O)C2=C(CCCC2)C(=N1)C3=CC(=C(C=C3)OC)S(=O)(=O)N4CCC5=CC=CC=C54

DOS

IR

Vibrations