Geometry & MOs

Info

ID:	234487
PubChem CID:	92298540
Reduced:	ClSN3O3C26H32 (1)
Stoich.:	ABC3D3E26F32 (1)
Weight, g/mol:	559.250478
ΔH_f, kcal/mol:	-107.4
Dipole, Da:	3.21
IP(EA), eV:	-8.56(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-N-(4-hexoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-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