Geometry & MOs

Info

ID:	166249
PubChem CID:	74656427
Reduced:	ClSO2N3C19H20 (1)
Stoich.:	ABC2D3E19F20 (1)
Weight, g/mol:	371.220892
ΔH_f, kcal/mol:	52.79
Dipole, Da:	2.13
IP(EA), eV:	-9.23(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-[(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)methyl]oxolane-2-carboxamide

Drug info:

PubChemData

Smile

CCCN(CC1=NC(=O)C2C=CC(=CC2=N1)Cl)C(=O)C3=CC=C(S3)CC

DOS

IR

Vibrations