Geometry & MOs

Info

ID:	234488
PubChem CID:	92298541
Reduced:	SN3O4C32H37 (1)
Stoich.:	AB3C4D32E37 (1)
Weight, g/mol:	549.185291
ΔH_f, kcal/mol:	-102.12
Dipole, Da:	3.18
IP(EA), eV:	-8.53(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-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=CC=C3)S2)CCC4=CC=C(C=C4)OC

DOS

IR

Vibrations