Geometry & MOs

Info

ID:	217886
PubChem CID:	85088534
Reduced:	SSiO4C21H32 (1)
Stoich.:	ABC4D21E32 (1)
Weight, g/mol:	378.243104
ΔH_f, kcal/mol:	-161.37
Dipole, Da:	6.35
IP(EA), eV:	-9.09(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-1-cyclopropyl-6-fluoro-8-methyl-4a,5,6,7,8,8a-hexahydroquinazoline-2,4-dione

Drug info:

PubChemData

Smile

CC1C=C(C2C(O2)C(C1O[Si](C)(C)C(C)(C)C)C)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations