Geometry & MOs

Info

ID:	41713
PubChem CID:	8146907
Reduced:	SF2O4H12C15 (1)
Stoich.:	AB2C4D12E15 (1)
Weight, g/mol:	349.215413
ΔH_f, kcal/mol:	-215.67
Dipole, Da:	4.35
IP(EA), eV:	-9.17(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[[(1S)-2-methyl-1-(4-propylphenyl)propyl]amino]methyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C(=O)OCC(=O)C2=CC=C(C=C2)OC(F)F

DOS

IR

Vibrations