Geometry & MOs

Info

ID:	427722
PubChem CID:	135161717
Reduced:	ClNO2C15H22 (1)
Stoich.:	ABC2D15E22 (1)
Weight, g/mol:	313.098394
ΔH_f, kcal/mol:	-79.05
Dipole, Da:	1.85
IP(EA), eV:	-9.64(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-2-[(S)-[(1S)-cyclohex-2-en-1-yl]-hydroxymethyl]-5-methyl-3,3,4-trioxo-3lambda6-thiabicyclo[3.1.0]hexane-2-carboxamide

Drug info:

PubChemData

Smile

CN1[C@H](C(C1=O)[C@H](C2CCCC=C2)O)C(=C)CCCl

DOS

IR

Vibrations