Geometry & MOs

Info

ID:	182627
PubChem CID:	76916772
Reduced:	NO4H11C12 (1)
Stoich.:	AB4C11D12 (1)
Weight, g/mol:	277.124883
ΔH_f, kcal/mol:	-112.49
Dipole, Da:	7.88
IP(EA), eV:	-9.53(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(dimethylamino)-2-methylpropyl]-2-sulfanylidene-4aH-quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)C2=NC(=O)C(C=C2)C(=O)O

DOS

IR

Vibrations