Geometry & MOs

Info

ID:	127464
PubChem CID:	51002968
Reduced:	O2F3H21C25 (1)
Stoich.:	A2B3C21D25 (1)
Weight, g/mol:	422.037102
ΔH_f, kcal/mol:	-169.36
Dipole, Da:	3.12
IP(EA), eV:	-9.35(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]quinazoline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC(/C=C/C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations