Geometry & MOs

Info

ID:	187462
PubChem CID:	77574315
Reduced:	FNOH22C23 (1)
Stoich.:	ABCD22E23 (1)
Weight, g/mol:	578.104513
ΔH_f, kcal/mol:	-22.24
Dipole, Da:	1.53
IP(EA), eV:	-9.18(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,6-dichlorobenzoyl)amino]-3-[4-[1-[2-(1,1-dioxothiolan-3-yl)acetyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]propanoic acid

Drug info:

PubChemData

Smile

C1CNCC1OCC2=C(C=CC(=C2)F)C3=CC=CC=C3C4=CC=CC=C4

DOS

IR

Vibrations