Geometry & MOs

Info

ID:	169819
PubChem CID:	75154490
Reduced:	SN2O5C11H16 (1)
Stoich.:	AB2C5D11E16 (1)
Weight, g/mol:	468.163827
ΔH_f, kcal/mol:	-231.38
Dipole, Da:	8.08
IP(EA), eV:	-9.52(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-chlorophenyl)methylidene]-4-methyl-N-[2-(4-methylphenyl)ethyl]-3-oxo-4a,5,6,7,8,8a-hexahydrobenzo[b][1,4]thiazine-6-carboxamide

Drug info:

PubChemData

Smile

CCN1C(=O)CC(C1=O)SCC(C(=O)O)NC(=O)C

DOS

IR

Vibrations