Geometry & MOs

Info

ID:

163324

PubChem CID:

57744090

Reduced:

O3N6C31H38 (1)

Stoich.:

A3B6C31D38 (1)

Weight, g/mol:

567.14218

ΔHf, kcal/mol:

-22.01

Dipole, Da:

10.55

IP(EA), eV:

 -8.39(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(6Z)-4-[3-[[(2R)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]phenyl]-6-(4-chloro-6-oxocyclohexa-2,4-dien-1-ylidene)-3-cyano-1H-pyridin-2-yl]furan-2-carboxamide

Drug info:

PubChemData

Smile

COC[C@@]1(CCCC[C@H]1N2C=NC(=C2C3=CC=CC=C3)C(=O)N4CCNC[C@H]4CCN5C=C6C=CC=CC6=N5)O

DOS

IR

Vibrations