Geometry & MOs

Info

ID:	347267
PubChem CID:	127272061
Reduced:	SO2N3C18H25 (1)
Stoich.:	AB2C3D18E25 (1)
Weight, g/mol:	377.213698
ΔH_f, kcal/mol:	-54.54
Dipole, Da:	0.42
IP(EA), eV:	-8.91(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-oxo-2-[(1-propan-2-ylpiperidin-3-yl)methylamino]ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=C(S2)C(=O)NCC(=O)N3CCN(CC3)C4CC4

DOS

IR

Vibrations