Geometry & MOs

Info

ID:

84380

PubChem CID:

49866107

Reduced:

N2Cl4O7H22C27 (1)

Stoich.:

A2B4C7D22E27 (1)

Weight, g/mol:

629.010411

ΔHf, kcal/mol:

-247.81

Dipole, Da:

6.44

IP(EA), eV:

 -8.97(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-2-[[(4R,5R)-5-[(3,5-dichloropyridin-4-yl)carbamoyl]-1,3-dioxolane-4-carbonyl]amino]propanoic acid

Drug info:

PubChemData

Smile

C1O[C@H]([C@@H](O1)C(=O)N[C@@H](CC2=CC=C(C=C2)OCC3=C(C=CC=C3Cl)Cl)C(=O)O)C(=O)NC4=C(C=CC=C4Cl)Cl

DOS

IR

Vibrations