Geometry & MOs

Info

ID:	121800
PubChem CID:	50781947
Reduced:	FN4O5C24H29 (1)
Stoich.:	AB4C5D24E29 (1)
Weight, g/mol:	458.196548
ΔH_f, kcal/mol:	-214.74
Dipole, Da:	2.86
IP(EA), eV:	-8.34(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCCNC(=O)CN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC=CC=C3F)C(=O)O

DOS

IR

Vibrations