Geometry & MOs

Info

ID:	291716
PubChem CID:	113460470
Reduced:	SN3O3C18H19 (1)
Stoich.:	AB3C3D18E19 (1)
Weight, g/mol:	327.04701
ΔH_f, kcal/mol:	-51.46
Dipole, Da:	9.42
IP(EA), eV:	-9.17(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-bromo-5-methylbenzoyl)amino]-2-methylpentanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN(CCO)S(=O)(=O)C2=C3C(=C(C=C2)N)C=CC=N3

DOS

IR

Vibrations