Geometry & MOs

Info

ID:	259132
PubChem CID:	103158313
Reduced:	NOSC12H25 (1)
Stoich.:	ABCD12E25 (1)
Weight, g/mol:	300.087685
ΔH_f, kcal/mol:	-82.7
Dipole, Da:	2.43
IP(EA), eV:	-8.3(0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-chloro-2-methylphenyl)carbamoylamino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

CC(CSC)NCC(CC1CCCC1)O

DOS

IR

Vibrations