Geometry & MOs

Info

ID:

409552

PubChem CID:

135082334

Reduced:

NO5H17C20 (1)

Stoich.:

AB5C17D20 (1)

Weight, g/mol:

616.19765

ΔHf, kcal/mol:

-103.64

Dipole, Da:

5.52

IP(EA), eV:

 -10.12(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3Z)-1-[(2S)-2-[[(2S,3S,4S)-2-amino-5-carbamoyloxy-3,4-dihydroxypentanoyl]amino]-2-[(3S,4R,5R)-3,4-dihydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]acetyl]-3-ethylideneazetidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)CC2C(C(=O)N(C2=O)O)CC(=O)C3=CC=CC=C3

DOS

IR

Vibrations