Geometry & MOs

Info

ID:	171473
PubChem CID:	75381791
Reduced:	SO2N3C18H19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	337.182398
ΔH_f, kcal/mol:	9.86
Dipole, Da:	1.05
IP(EA), eV:	-9.0(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-N-[3-[methyl(propan-2-yl)amino]phenyl]-1-oxo-1,4-thiazinane-4-carboxamide

Drug info:

PubChemData

Smile

COCC1=CC=CC=C1CNC(=O)CN2C=CC(=N2)C3=CC=CS3

DOS

IR

Vibrations