Geometry & MOs

Info

ID:	121331
PubChem CID:	50763777
Reduced:	SO4N5H21C25 (1)
Stoich.:	AB4C5D21E25 (1)
Weight, g/mol:	487.131425
ΔH_f, kcal/mol:	-26.76
Dipole, Da:	4.77
IP(EA), eV:	-8.33(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[3-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-5-oxo-2H-1,2,4-triazin-6-yl]phenyl]benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C(=NN2)C3=CC=CC=C3NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations