Geometry & MOs

Info

ID:	317956
PubChem CID:	126647999
Reduced:	SO3N8C20H20 (1)
Stoich.:	AB3C8D20E20 (1)
Weight, g/mol:	659.152466
ΔH_f, kcal/mol:	3.16
Dipole, Da:	10.96
IP(EA), eV:	-9.38(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[[6-[bis(4-chlorophenyl)methyl]quinazolin-4-yl]amino]piperidin-1-yl]sulfonyl-N-methylbenzamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=C(C=C1)NC2=NC=NC(=N2)NCCNC(=O)NC3=CC=C(C=C3)C#N

DOS

IR

Vibrations