Geometry & MOs

Info

ID:	443509
PubChem CID:	135259223
Reduced:	SF2O3N7C27H31 (1)
Stoich.:	AB2C3D7E27F31 (1)
Weight, g/mol:	411.150681
ΔH_f, kcal/mol:	-164.75
Dipole, Da:	6.43
IP(EA), eV:	-8.99(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(5,7-difluoroquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione

Drug info:

PubChemData

Smile

CC1=C2C(=O)NC3(N2C(=O)C(=C1)NC4=C5C=C(SC5=NC=N4)C(=O)N6CCC(CC6)N(C)C)CCC(CC3)(F)F

DOS

IR

Vibrations