Geometry & MOs

Info

ID:

436277

PubChem CID:

135196780

Reduced:

SN2O8C31H34 (1)

Stoich.:

AB2C8D31E34 (1)

Weight, g/mol:

666.177784

ΔHf, kcal/mol:

-248.42

Dipole, Da:

3.24

IP(EA), eV:

 -8.97(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-methylbut-2-enyl (1R,4R,5R,8R)-4-[[[(2Z)-2-(2-amino-2-oxoethoxy)imino-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]acetyl]amino]methyl]-3,10-dioxo-11-oxa-6-thia-2-azatricyclo[6.3.0.02,5]undecane-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=C)C(=O)C(=O)OC/C=C(\C)/CC1=CC(=CC=C1)CC(=O)N[C@H]2[C@H](NC2=O)S)C(=O)OCC3=CC=C(C=C3)OC

DOS

IR

Vibrations