Geometry & MOs

Info

ID:

436275

PubChem CID:

135196778

Reduced:

NSO5C16H23 (1)

Stoich.:

ABC5D16E23 (1)

Weight, g/mol:

559.031513

ΔHf, kcal/mol:

-205.45

Dipole, Da:

2.87

IP(EA), eV:

 -9.05(-0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[(1R,4R,5R,6S,8R)-1-carboxy-3,6,10-trioxo-11-oxa-6lambda4-thia-2-azatricyclo[6.3.0.02,5]undecan-4-yl]amino]-2-oxoethylidene]amino]oxybutanedioic acid

Drug info:

PubChemData

Smile

CCC(=O)O[C@]1(CCS[C@H]2N1C(=O)[C@H]2C)C(=O)OCC=C(C)C

DOS

IR

Vibrations