Geometry & MOs

Info

ID:	192101
PubChem CID:	78228689
Reduced:	SN3O3H9C12 (1)
Stoich.:	AB3C3D9E12 (1)
Weight, g/mol:	316.099397
ΔH_f, kcal/mol:	-1.56
Dipole, Da:	4.18
IP(EA), eV:	-9.87(-2.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-methylidene-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)acetamide

Drug info:

PubChemData

Smile

C=C1C(=O)N=C(N=N1)SCC2=CC=CC=C2C(=O)O

DOS

IR

Vibrations