Geometry & MOs

Info

ID:	434256
PubChem CID:	135174533
Reduced:	NSO2C11H17 (1)
Stoich.:	ABC2D11E17 (1)
Weight, g/mol:	263.074678
ΔH_f, kcal/mol:	-87.68
Dipole, Da:	4.99
IP(EA), eV:	-8.74(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-5-(2-chloroethyl)-2-[(1S)-1-hydroxy-2-methylpropyl]-2-methyl-4H-1,4-thiazin-3-one

Drug info:

PubChemData

Smile

CC1=C(S[C@@]2([C@H]1NC2=O)[C@H](C(C)C)O)C

DOS

IR

Vibrations