Geometry & MOs

Info

ID:	41637
PubChem CID:	8146647
Reduced:	SN3O4C21H25 (1)
Stoich.:	AB3C4D21E25 (1)
Weight, g/mol:	283.132077
ΔH_f, kcal/mol:	-50.67
Dipole, Da:	2.87
IP(EA), eV:	-8.35(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1)CN2C(=S)OC(=N2)C3=CC(=C(C(=C3)OC)OC)OC

DOS

IR

Vibrations