Geometry & MOs

Info

ID:	122456
PubChem CID:	50807342
Reduced:	FN2O4C24H29 (1)
Stoich.:	AB2C4D24E29 (1)
Weight, g/mol:	382.225643
ΔH_f, kcal/mol:	-193.47
Dipole, Da:	8.02
IP(EA), eV:	-8.93(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCN(CC(=O)C(C)(C)C)C1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2F)C(=O)O

DOS

IR

Vibrations