Geometry & MOs

Info

ID:

328190

PubChem CID:

126695586

Reduced:

NO2C16H17 (1)

Stoich.:

AB2C16D17 (1)

Weight, g/mol:

815.378866

ΔHf, kcal/mol:

-30.59

Dipole, Da:

4.2

IP(EA), eV:

-7.77(-0.01)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

3-[7-[3-[2-[4-[2-[6-tert-butylsulfonyl-4-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]quinazolin-7-yl]oxyethyl]piperazin-1-yl]ethoxy]propyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)OC)C(C3=CC=CC=C31)OC

DOS

IR

Vibrations