Geometry & MOs

Info

ID:	213390
PubChem CID:	81063594
Reduced:	NSO3C15H21 (1)
Stoich.:	ABC3D15E21 (1)
Weight, g/mol:	343.04192
ΔH_f, kcal/mol:	-137.07
Dipole, Da:	2.04
IP(EA), eV:	-8.96(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations