Geometry & MOs

Info

ID:	121798
PubChem CID:	50781903
Reduced:	FN4O4C23H27 (1)
Stoich.:	AB4C4D23E27 (1)
Weight, g/mol:	472.187733
ΔH_f, kcal/mol:	-179.14
Dipole, Da:	1.8
IP(EA), eV:	-8.9(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]-2-[(4-chlorobenzoyl)amino]benzoic acid

Drug info:

PubChemData

Smile

CCCC(=O)NC1=C(C=C(C=C1)N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)F)C(=O)O

DOS

IR

Vibrations