Geometry & MOs

Info

ID:	234490
PubChem CID:	92298543
Reduced:	ClSN3O3C26H32 (1)
Stoich.:	ABC3D3E26F32 (1)
Weight, g/mol:	549.185291
ΔH_f, kcal/mol:	-107.04
Dipole, Da:	4.32
IP(EA), eV:	-8.53(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-3-[(4-chlorophenyl)methyl]-N-(4-hexoxyphenyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations