Geometry & MOs

Info

ID:	122452
PubChem CID:	50807223
Reduced:	N2O3C18H28 (1)
Stoich.:	A2B3C18D28 (1)
Weight, g/mol:	446.12051
ΔH_f, kcal/mol:	-148.88
Dipole, Da:	6.43
IP(EA), eV:	-8.9(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[bis(2-methylpropyl)amino]-5-[(4-bromobenzoyl)amino]benzoic acid

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC(=C(C=C1)N(CC(C)C)CC(C)C)C(=O)O

DOS

IR

Vibrations