Geometry & MOs

Info

ID:	258379
PubChem CID:	103153349
Reduced:	NSO4C15H23 (1)
Stoich.:	ABC4D15E23 (1)
Weight, g/mol:	280.105922
ΔH_f, kcal/mol:	-185.98
Dipole, Da:	3.72
IP(EA), eV:	-9.26(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-carbamoylbenzoyl)amino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

CCCC1=C(C=C(S1)C(=O)NCC(CC(=O)O)OC)CC

DOS

IR

Vibrations