Geometry & MOs

Info

ID:

381383

PubChem CID:

134972100

Reduced:

N3O5H17C19 (1)

Stoich.:

A3B5C17D19 (1)

Weight, g/mol:

620.248229

ΔHf, kcal/mol:

-49.14

Dipole, Da:

7.76

IP(EA), eV:

 -8.93(-2.01)

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]-5-methyl-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3-oxazolidine-4-carboxamide

Drug info:

PubChemData

Smile

COCCNC1=C(C(=O)C2=CC=CC=C2C1=O)NC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations