Geometry & MOs

Info

ID:	443538
PubChem CID:	135259280
Reduced:	SO3N6C30H38 (1)
Stoich.:	AB3C6D30E38 (1)
Weight, g/mol:	395.114903
ΔH_f, kcal/mol:	-17.78
Dipole, Da:	7.08
IP(EA), eV:	-8.99(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C/1=C\2/C(CCC(=O)/C(=C1)/NC3=C4C=C(SC4=NC=N3)C(=O)N5CCC(CC5)N(C)C)C6(CCCCC6)NC2=O

DOS

IR

Vibrations