Geometry & MOs

Info

ID:

84321

PubChem CID:

49865753

Reduced:

N3O5H31C32 (1)

Stoich.:

A3B5C31D32 (1)

Weight, g/mol:

564.143007

ΔHf, kcal/mol:

-115.92

Dipole, Da:

6.41

IP(EA), eV:

 -8.39(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]([C@@H](C(=O)OCC1=CC=CC=C1)NCCC2=C3C(=CC(=N2)C(=O)OCC4=CC=CC=C4)C5=CC=CC=C5N3)O

DOS

IR

Vibrations