Geometry & MOs

Info

ID:	41615
PubChem CID:	8146568
Reduced:	SO2N4C19H26 (1)
Stoich.:	AB2C4D19E26 (1)
Weight, g/mol:	303.077454
ΔH_f, kcal/mol:	-35.18
Dipole, Da:	3.06
IP(EA), eV:	-8.28(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1CCCN(C1)CN2C(=S)N(C(=N2)C)C3=CC=CC=C3C

DOS

IR

Vibrations