Geometry & MOs

Info

ID:	218203
PubChem CID:	85089024
Reduced:	ClFN2O5C21H24 (1)
Stoich.:	ABC2D5E21F24 (1)
Weight, g/mol:	438.17102
ΔH_f, kcal/mol:	-256.55
Dipole, Da:	4.06
IP(EA), eV:	-9.0(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(7-carbamimidoylnaphthalen-2-yl)-2-(4-cyclopentyloxyphenyl)propanoic acid;hydrochloride

Drug info:

PubChemData

Smile

CCCOC(=O)CC(C(=O)CF)NC(=O)C(CC)N1C=CC2=C(C1=O)C=C(C=C2)Cl

DOS

IR

Vibrations