Geometry & MOs

Info

ID:	425643
PubChem CID:	135127115
Reduced:	Cl2N3O3C26H33 (1)
Stoich.:	A2B3C3D26E33 (1)
Weight, g/mol:	379.117963
ΔH_f, kcal/mol:	-112.4
Dipole, Da:	1.59
IP(EA), eV:	-8.63(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(1S)-1-carboxy-2-(3-hydroxy-4-oxopyridin-1-yl)ethyl]hydrazinyl]-3-(3-fluorophenyl)propanoic acid

Drug info:

PubChemData

Smile

CCOCN1C(=O)CCC2=C1C=C(C=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl

DOS

IR

Vibrations