Geometry & MOs

Info

ID:	352162
PubChem CID:	127283230
Reduced:	ON5C22H29 (1)
Stoich.:	AB5C22D29 (1)
Weight, g/mol:	382.032496
ΔH_f, kcal/mol:	1.58
Dipole, Da:	3.66
IP(EA), eV:	-8.91(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-[4-[(2-methyl-1,3-thiazol-4-yl)sulfonyl]piperazin-1-yl]benzonitrile

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)CN2CCN(CC2)C3=NC(=NC=C3)C4=CC=CC=C4

DOS

IR

Vibrations