Geometry & MOs

Info

ID:	234489
PubChem CID:	92298542
Reduced:	ClSN3O3C30H32 (1)
Stoich.:	ABC3D3E30F32 (1)
Weight, g/mol:	501.185291
ΔH_f, kcal/mol:	-66.01
Dipole, Da:	4.33
IP(EA), eV:	-8.58(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-2-(3-chloro-4-methylphenyl)imino-3-ethyl-N-(4-hexoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide

Drug info:

PubChemData

Smile

CCCCCCOC1=CC=C(C=C1)NC(=O)[C@@H]2CC(=O)N(C(=NC3=CC=CC=C3)S2)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations