Geometry & MOs

Info

ID:	161407
PubChem CID:	57391576
Reduced:	ClN2H5C6 (2)
Stoich.:	AB2C5D6 (2)
Weight, g/mol:	438.06054
ΔH_f, kcal/mol:	77.46
Dipole, Da:	3.8
IP(EA), eV:	-9.29(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cycloheptyl-1-(4,5-dichlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CN=C(N1)C2=CN(N=C2)C3=CC(=CC(=C3)Cl)Cl

DOS

IR

Vibrations