Geometry & MOs

Info

ID:	26388
PubChem CID:	646001
Reduced:	SN2O5C18H20 (1)
Stoich.:	AB2C5D18E20 (1)
Weight, g/mol:	440.222369
ΔH_f, kcal/mol:	-145.96
Dipole, Da:	8.02
IP(EA), eV:	-8.73(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-[(4-fluorophenyl)methyl]-N-pyridin-2-ylpentanediamide

Drug info:

PubChemData

Smile

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)N(C3=CC=CC=C3)S(=O)(=O)C

DOS

IR

Vibrations