Geometry & MOs

Info

ID:

327434

PubChem CID:

126689902

Reduced:

ClFO3N5C27H33 (1)

Stoich.:

ABC3D5E27F33 (1)

Weight, g/mol:

539.209946

ΔHf, kcal/mol:

-122.02

Dipole, Da:

10.78

IP(EA), eV:

 -8.29(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-N-(3-chloro-4-fluorophenyl)-6-N-(3-ethenyloxiran-2-yl)-7-[(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-yl)methoxy]quinazoline-4,6-diamine

Drug info:

PubChemData

Smile

CN1CCC2(CC1)CC(CO2)COC3=C(C=C4C(NCNC4=C3)NC5=CC(=C(C=C5)F)Cl)NC(=O)C=C

DOS

IR

Vibrations