Geometry & MOs

Info

ID:	122433
PubChem CID:	50806913
Reduced:	ON6C27H32 (1)
Stoich.:	AB6C27D32 (1)
Weight, g/mol:	428.120607
ΔH_f, kcal/mol:	39.61
Dipole, Da:	4.32
IP(EA), eV:	-8.54(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-fluorobenzoyl)amino]-2-[2-methoxyethyl(thiophen-2-ylmethyl)amino]benzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4)N5CCN(CC5)C

DOS

IR

Vibrations