Geometry & MOs

Info

ID:	43129
PubChem CID:	10318867
Reduced:	OSF2N3C21H21 (1)
Stoich.:	ABC2D3E21F21 (1)
Weight, g/mol:	401.222703
ΔH_f, kcal/mol:	-57.77
Dipole, Da:	4.13
IP(EA), eV:	-8.52(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-7-[(9S)-8-amino-9-methyl-6-azaspiro[3.5]nonan-6-yl]-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4-dione

Drug info:

PubChemData

Smile

C1COCCN1CCNC2=NC(=C(S2)C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

DOS

IR

Vibrations