Geometry & MOs

Info

ID:

84334

PubChem CID:

49865898

Reduced:

Cl2N2O7C24H24 (1)

Stoich.:

A2B2C7D24E24 (1)

Weight, g/mol:

615.063377

ΔHf, kcal/mol:

-239.77

Dipole, Da:

5.86

IP(EA), eV:

 -8.92(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1NC(=O)[C@H]2[C@@H](OCO2)C(=O)N[C@@H](CC3=CC=C(C=C3)OCC4=C(C=CC=C4Cl)Cl)C(=O)O

DOS

IR

Vibrations