Geometry & MOs

Info

ID:	307869
PubChem CID:	125310116
Reduced:	SN4O4C22H22 (1)
Stoich.:	AB4C4D22E22 (1)
Weight, g/mol:	340.039689
ΔH_f, kcal/mol:	-45.34
Dipole, Da:	5.07
IP(EA), eV:	-8.25(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methoxyphenyl)-2-[[(6S)-6-methyl-5-oxo-6H-1,2,4-triazin-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCN1[C@@H](N=C2C3=CC=CC=C3N=C2C1=O)SCC(=O)NC4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations