Geometry & MOs

Info

ID:	38228
PubChem CID:	8028207
Reduced:	ClSN2O4C11H14 (1)
Stoich.:	ABC2D4E11F14 (1)
Weight, g/mol:	302.13789
ΔH_f, kcal/mol:	-120.65
Dipole, Da:	8.95
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.806357
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethyl-7-nitro-5-piperidin-1-ylquinazolin-4-one

Drug info:

PubChemData

Smile

CN(C)C1=CC(=C(C=C1C(=O)[O-])S(=O)(=O)N(C)C)Cl

DOS

IR

Vibrations