Geometry & MOs

Info

ID:	43828
PubChem CID:	10321852
Reduced:	ClFSN4H14C25 (1)
Stoich.:	ABCD4E14F25 (1)
Weight, g/mol:	456.146537
ΔH_f, kcal/mol:	125.37
Dipole, Da:	3.64
IP(EA), eV:	-9.04(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-chloropyridin-2-yl)-2-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]quinazolin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=NC3=C(C=C(C=C3)C4=CC=C(S4)Cl)C(=N2)N5C=CC6=C5C=CN=C6)F

DOS

IR

Vibrations