Geometry & MOs

Info

ID:

409555

PubChem CID:

135082337

Reduced:

N6O13C23H32 (1)

Stoich.:

A6B13C23D32 (1)

Weight, g/mol:

586.187085

ΔHf, kcal/mol:

-535.93

Dipole, Da:

10.28

IP(EA), eV:

 -9.59(-0.5)

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)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetyl]-3-ethylideneazetidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C/C=C\1/CN([C@@H]1C(=O)O)C(=O)[C@H](C2[C@H]([C@H]([C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)NC(=O)[C@H]([C@@H]([C@H](COC(=O)N)O)O)N

DOS

IR

Vibrations