Geometry & MOs

Info

ID:	170054
PubChem CID:	75189758
Reduced:	BrNO5C20H24 (1)
Stoich.:	ABC5D20E24 (1)
Weight, g/mol:	378.116877
ΔH_f, kcal/mol:	-181.89
Dipole, Da:	3.37
IP(EA), eV:	-8.48(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)CN1C2CCCCC2OC(=CC3=CC(=C(C=C3)OC)Br)C1=O

DOS

IR

Vibrations