Geometry & MOs

Info

ID:

409553

PubChem CID:

135082335

Reduced:

N6O14C23H32 (1)

Stoich.:

A6B14C23D32 (1)

Weight, g/mol:

630.176914

ΔHf, kcal/mol:

-584.58

Dipole, Da:

1.38

IP(EA), eV:

 -10.07(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(2R,3R,4S)-5-[(1S)-1-[[(2S,3S,4S)-2-amino-5-carbamoyloxy-3,4-dihydroxypentanoyl]amino]-2-[(2S,3Z)-2-carboxy-3-ethylideneazetidin-1-yl]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidine-5-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)CO)O)O)NC(=O)[C@H]([C@@H]([C@H](COC(=O)N)O)O)N

DOS

IR

Vibrations