Geometry & MOs

Info

ID:

84445

PubChem CID:

49866456

Reduced:

P2O11C47H98 (1)

Stoich.:

A2B11C47D98 (1)

Weight, g/mol:

464.106709

ΔHf, kcal/mol:

-813.52

Dipole, Da:

5.65

IP(EA), eV:

 -10.14(0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[(2,3-dihydroxybenzoyl)amino]-3-[(2R)-2-[(2,3-dihydroxybenzoyl)amino]-3-hydroxypropanoyl]oxypropanoic acid

Drug info:

PubChemData

Smile

C[C@@H](CCC[C@H](C)CCCC(C)C)CCC[C@H](C)CCOC[C@H](COP(=O)(O)OC[C@H](COP(=O)(O)OC)O)OCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C

DOS

IR

Vibrations