Geometry & MOs

Info

ID:	40488
PubChem CID:	8144222
Reduced:	NSH7C10 (2)
Stoich.:	ABC7D10 (2)
Weight, g/mol:	345.147727
ΔH_f, kcal/mol:	120.85
Dipole, Da:	2.01
IP(EA), eV:	-8.08(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-1-[[(R)-furan-2-yl(phenyl)methyl]amino]ethyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

C1=CC=C2C=NC(=CC2=C1)S/C=C/SC3=CC4=CC=CC=C4C=N3

DOS

IR

Vibrations