Geometry & MOs

Info

ID:	56265
PubChem CID:	17422906
Reduced:	FO3N4H11C15 (1)
Stoich.:	AB3C4D11E15 (1)
Weight, g/mol:	374.120132
ΔH_f, kcal/mol:	-5.26
Dipole, Da:	4.83
IP(EA), eV:	-9.24(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-cyclopropylquinazolin-4-yl)sulfanylmethyl]-8-methyl-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NC(=N2)COC3=C(C=CC(=C3)F)[N+](=O)[O-])N

DOS

IR

Vibrations