Geometry & MOs

Info

ID:	213958
PubChem CID:	81065591
Reduced:	SN2O4C13H20 (1)
Stoich.:	AB2C4D13E20 (1)
Weight, g/mol:	293.137556
ΔH_f, kcal/mol:	-164.8
Dipole, Da:	6.7
IP(EA), eV:	-9.4(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-acetamidophenyl)carbamoylamino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCNS(=O)(=O)C1=CC=C(C=C1)NCC(C)CC(=O)O

DOS

IR

Vibrations