Geometry & MOs

Info

ID:

187463

PubChem CID:

77574369

Reduced:

SCl2N2O6C27H28 (1)

Stoich.:

AB2C2D6E27F28 (1)

Weight, g/mol:

580.120163

ΔHf, kcal/mol:

-229.9

Dipole, Da:

12.78

IP(EA), eV:

 -9.46(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CC1CC(=O)N2CCC(=CC2)C3=CC=C(C=C3)CC(C(=O)O)NC(=O)C4=C(C=CC=C4Cl)Cl

DOS

IR

Vibrations