Geometry & MOs

Info

ID:	121799
PubChem CID:	50781904
Reduced:	ClN4O4C24H29 (1)
Stoich.:	AB4C4D24E29 (1)
Weight, g/mol:	472.212198
ΔH_f, kcal/mol:	-148.66
Dipole, Da:	3.93
IP(EA), eV:	-8.93(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-fluorobenzoyl)amino]-5-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazin-1-yl]benzoic acid

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)CN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl)C(=O)O

DOS

IR

Vibrations