Geometry & MOs

Info

ID:	120974
PubChem CID:	50752077
Reduced:	SO3N5C22H23 (1)
Stoich.:	AB3C5D22E23 (1)
Weight, g/mol:	465.183461
ΔH_f, kcal/mol:	-39.58
Dipole, Da:	4.95
IP(EA), eV:	-8.84(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[3-[1-(2,4-dimethylanilino)-1-oxopropan-2-yl]sulfanyl-5-oxo-2H-1,2,4-triazin-6-yl]phenyl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=CC=CC=C1C2=NNC(=NC2=O)SC(C)C(=O)NC3=CC=CC=C3

DOS

IR

Vibrations