Geometry & MOs

Info

ID:	192103
PubChem CID:	78228777
Reduced:	ClSO2N4H13C14 (1)
Stoich.:	ABC2D4E13F14 (1)
Weight, g/mol:	288.068097
ΔH_f, kcal/mol:	11.06
Dipole, Da:	2.52
IP(EA), eV:	-9.11(-2.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-[(6-methylidene-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-phenylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Cl)NC(=O)CSC2=NC(=O)C(=C)N=N2)C

DOS

IR

Vibrations