Geometry & MOs

Info

ID:	158330
PubChem CID:	56463368
Reduced:	ClSN3O3C23H28 (1)
Stoich.:	ABC3D3E23F28 (1)
Weight, g/mol:	320.192235
ΔH_f, kcal/mol:	-40.97
Dipole, Da:	5.98
IP(EA), eV:	-9.02(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[cyclopropyl(methyl)amino]propyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(CNC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N(CC=C)C2=CC=CC=C2)N(C)C3CC3

DOS

IR

Vibrations