Geometry & MOs

Info

ID:	328786
PubChem CID:	126727772
Reduced:	NC23H29 (1)
Stoich.:	AB23C29 (1)
Weight, g/mol:	551.223177
ΔH_f, kcal/mol:	82.99
Dipole, Da:	0.88
IP(EA), eV:	-8.54(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2R)-6-tert-butyl-2-methyl-2H-pyran-4-yl]-1-[5-(6,7-dimethoxyquinazolin-4-yl)oxy-2,4-difluorophenyl]-1-iminobutan-2-one

Drug info:

PubChemData

Smile

CC=NC1=C(C=C(C(=C1)C)C)C(=C)CC(C)/C(=C/C#C)/C=C(C)C

DOS

IR

Vibrations