Geometry & MOs

Info

ID:	261510
PubChem CID:	103237245
Reduced:	NSO2C17H21 (1)
Stoich.:	ABC2D17E21 (1)
Weight, g/mol:	304.98182
ΔH_f, kcal/mol:	-67.54
Dipole, Da:	4.39
IP(EA), eV:	-9.02(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-2-chloroanilino)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

C1CCCC(CC1)NCC2=C(SC3=CC=CC=C32)C(=O)O

DOS

IR

Vibrations