Geometry & MOs

Info

ID:	417285
PubChem CID:	135091921
Reduced:	FN2O5C19H23 (1)
Stoich.:	AB2C5D19E23 (1)
Weight, g/mol:	407.151492
ΔH_f, kcal/mol:	-191.78
Dipole, Da:	4.7
IP(EA), eV:	-9.33(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]sulfonyl]-3-methyl-1H-quinazoline-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2=C(C(=NO2)N3CCCC(C3)CCCO)C(=O)O)F

DOS

IR

Vibrations