Geometry & MOs

Info

ID:	292314
PubChem CID:	114916576
Reduced:	SN2O5H12C13 (1)
Stoich.:	AB2C5D12E13 (1)
Weight, g/mol:	287.152144
ΔH_f, kcal/mol:	-161.9
Dipole, Da:	2.99
IP(EA), eV:	-9.34(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclohex-3-ene-1-carbonylamino)-4-phenylbutanoic acid

Drug info:

PubChemData

Smile

CC1=CSC(=C1N2C(=O)C3(CC3)C(=O)NC2=O)C(=O)OC

DOS

IR

Vibrations