Geometry & MOs

Info

ID:	213211
PubChem CID:	81063175
Reduced:	NSO3C14H19 (1)
Stoich.:	ABC3D14E19 (1)
Weight, g/mol:	249.136493
ΔH_f, kcal/mol:	-131.71
Dipole, Da:	4.29
IP(EA), eV:	-8.97(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2,3-dimethylbenzoyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SCC(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations