Geometry & MOs

Info

ID:

390877

PubChem CID:

135001422

Reduced:

IN2O5C25H27 (1)

Stoich.:

AB2C5D25E27 (1)

Weight, g/mol:

682.321394

ΔHf, kcal/mol:

-78.03

Dipole, Da:

6.3

IP(EA), eV:

 -9.35(-1.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(1R)-2-[5-[6-methoxy-3-[(3R,5S)-5-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxyquinoxalin-2-yl]pent-4-ynyl]cyclopropyl]oxycarbonylamino]-3,3-dimethylbutanoic acid

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1)C(C)(C)C(=O)C(C2=C(C=C(C=C2)C#N)[N+](=O)[O-])C(=O)OC(C)(C)C)I

DOS

IR

Vibrations