Geometry & MOs

Info

ID:	30080
PubChem CID:	839496
Reduced:	BrNSO2C13H18 (1)
Stoich.:	ABCD2E13F18 (1)
Weight, g/mol:	283.120843
ΔH_f, kcal/mol:	-79.24
Dipole, Da:	4.12
IP(EA), eV:	-9.55(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,4-dimethylbenzoyl)amino]-5-methylbenzoic acid

Drug info:

PubChemData

Smile

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Br)C

DOS

IR

Vibrations