Geometry & MOs

Info

ID:	380971
PubChem CID:	134971583
Reduced:	NSO3C18H25 (1)
Stoich.:	ABC3D18E25 (1)
Weight, g/mol:	230.091889
ΔH_f, kcal/mol:	-115.34
Dipole, Da:	4.21
IP(EA), eV:	-8.52(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;(1S)-6-(3-methylbut-2-enoyl)cyclohex-3-ene-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[S@@](=O)CC2=CCN(CC2)C(=O)OC(C)(C)C

DOS

IR

Vibrations