Geometry & MOs

Info

ID:

381384

PubChem CID:

134972101

Reduced:

N4O9C32H36 (1)

Stoich.:

A4B9C32D36 (1)

Weight, g/mol:

636.243143

ΔHf, kcal/mol:

-310.03

Dipole, Da:

2.52

IP(EA), eV:

 -8.6(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z,4R,5S)-N-[4-[(2,3-dihydroxybenzoyl)amino]butyl]-N-[3-[(2,3-dihydroxybenzoyl)amino]propyl]-2-(5-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)-5-methyl-1,3-oxazolidine-4-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1[C@@H](N/C(=C/2\C=CC=CC2=O)/O1)C(=O)N(CCCCNC(=O)C3=C(C(=CC=C3)O)O)CCCNC(=O)C4=C(C(=CC=C4)O)O

DOS

IR

Vibrations