Geometry & MOs

Info

ID:	187308
PubChem CID:	77557016
Reduced:	SO4N6C19H22 (1)
Stoich.:	AB4C6D19E22 (1)
Weight, g/mol:	592.039326
ΔH_f, kcal/mol:	-94.71
Dipole, Da:	1.92
IP(EA), eV:	-8.88(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C2C(C(=C(S2)CN3C4=C(C=CC=N4)N=C3NC)C(=O)O)C(=O)N(C1=O)C

DOS

IR

Vibrations