Geometry & MOs

Info

ID:	64543
PubChem CID:	29202804
Reduced:	ClON3S3H16C18 (1)
Stoich.:	ABC3D3E16F18 (1)
Weight, g/mol:	383.187878
ΔH_f, kcal/mol:	61.39
Dipole, Da:	6.03
IP(EA), eV:	-8.64(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(dimethylsulfamoyl)-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)N(C)C1=CC=CC=C1)SC2=NN(C(=S)S2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations