Geometry & MOs

Info

ID:	234486
PubChem CID:	92298534
Reduced:	OSF2H12C18 (1)
Stoich.:	ABC2D12E18 (1)
Weight, g/mol:	501.185291
ΔH_f, kcal/mol:	-51.51
Dipole, Da:	2.12
IP(EA), eV:	-8.77(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1/C(=C\C2=CC=C(C=C2)F)/C(=O)/C(=C\C3=CC=C(C=C3)F)/S1

DOS

IR

Vibrations