Geometry & MOs

Info

ID:

214705

PubChem CID:

85083438

Reduced:

O2N4C37H48 (1)

Stoich.:

A2B4C37D48 (1)

Weight, g/mol:

581.157383

ΔHf, kcal/mol:

85.33

Dipole, Da:

2.92

IP(EA), eV:

 -8.21(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-6-[[2-[[2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-3-(sulfoamino)butanoyl]amino]hexanoic acid

Drug info:

PubChemData

Smile

COC1=CC=CC2C1NC3=C2C=CN=C3C4=CC5(CCC=CCCCCN6CCC4C7(C6)C5N8CCCCC=CC8C7)O

DOS

IR

Vibrations