Geometry & MOs

Info

ID:	213960
PubChem CID:	81065594
Reduced:	SN2O5C13H18 (1)
Stoich.:	AB2C5D13E18 (1)
Weight, g/mol:	332.069448
ΔH_f, kcal/mol:	-207.97
Dipole, Da:	4.94
IP(EA), eV:	-9.54(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(2,4-dichlorophenyl)ethylcarbamoylamino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)NC1=CC=C(C=C1)S(=O)(=O)C

DOS

IR

Vibrations