Geometry & MOs

Info

ID:	169821
PubChem CID:	75155046
Reduced:	ClSN2O3C21H25 (1)
Stoich.:	ABC2D3E21F25 (1)
Weight, g/mol:	454.165935
ΔH_f, kcal/mol:	-105.54
Dipole, Da:	4.28
IP(EA), eV:	-8.78(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methyl]-2-[2-[(3-methoxyphenyl)methylidene]-3-oxo-4a,5,6,7,8,8a-hexahydrobenzo[b][1,4]oxazin-4-yl]acetamide

Drug info:

PubChemData

Smile

CN1C2CC(CCC2SC(=CC3=CC=CC=C3Cl)C1=O)C(=O)N4CCOCC4

DOS

IR

Vibrations