Geometry & MOs

Info

ID:	126611
PubChem CID:	50970181
Reduced:	O3N5C17H25 (1)
Stoich.:	A3B5C17D25 (1)
Weight, g/mol:	358.1021
ΔH_f, kcal/mol:	-104.43
Dipole, Da:	5.76
IP(EA), eV:	-8.68(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methylsulfonylmorpholin-2-yl)methyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC(=NC(=N1)N2CCOCC2)N3CCC4(CC3)CNC(=O)O4

DOS

IR

Vibrations