Geometry & MOs

Info

ID:	298731
PubChem CID:	117655010
Reduced:	SO3N4H24C27 (1)
Stoich.:	AB3C4D24E27 (1)
Weight, g/mol:	585.243913
ΔH_f, kcal/mol:	-25.57
Dipole, Da:	6.01
IP(EA), eV:	-8.62(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopentyl (2S)-2-[2-[4-[6-amino-5-(2,4-difluorobenzoyl)-2-oxo-1H-pyridin-3-yl]phenyl]ethylamino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

C1C(OC(=O)N1C2=CC3=C(C=C2)SCC(=O)N3)CCNCC4=CC(=CC=C4)C5=CC=CC(=C5)C#N

DOS

IR

Vibrations