Geometry & MOs

Info

ID:	213923
PubChem CID:	81065554
Reduced:	SN2O6C12H16 (1)
Stoich.:	AB2C6D12E16 (1)
Weight, g/mol:	284.09277
ΔH_f, kcal/mol:	-163.67
Dipole, Da:	9.09
IP(EA), eV:	-10.09(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(4-chlorophenyl)carbamoylamino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)NCC(C)CC(=O)O)[N+](=O)[O-]

DOS

IR

Vibrations