Geometry & MOs

Info

ID:

432926

PubChem CID:

135173063

Reduced:

PN2H35C51 (1)

Stoich.:

AB2C35D51 (1)

Weight, g/mol:

368.036145

ΔHf, kcal/mol:

237.86

Dipole, Da:

2.39

IP(EA), eV:

 -8.48(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(3-methylsulfonyl-5-oxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-[(E)-pyridin-3-ylmethylideneamino]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=C(N=C(N=C42)C5=CC=C(C=C5)P(C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC9=CC=CC=C98)C1=CC=CC=C1

DOS

IR

Vibrations