Geometry & MOs

Info

ID:	213513
PubChem CID:	81063961
Reduced:	BrNSO3C12H14 (1)
Stoich.:	ABCD3E12F14 (1)
Weight, g/mol:	289.027249
ΔH_f, kcal/mol:	-94.59
Dipole, Da:	3.27
IP(EA), eV:	-9.49(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,5-dichlorobenzoyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)/C=C/C1=CC=C(S1)Br

DOS

IR

Vibrations