Geometry & MOs

Info

ID:	170055
PubChem CID:	75190663
Reduced:	ClSN2O2C19H23 (1)
Stoich.:	ABC2D2E19F23 (1)
Weight, g/mol:	406.148177
ΔH_f, kcal/mol:	-87.46
Dipole, Da:	5.3
IP(EA), eV:	-8.72(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-chlorophenyl)methylidene]-N-(3-methylbutyl)-3-oxo-4a,5,6,7,8,8a-hexahydro-4H-benzo[b][1,4]thiazine-6-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1CCC2C(C1)NC(=O)C(=CC3=CC=CC=C3Cl)S2

DOS

IR

Vibrations