Geometry & MOs

Info

ID:	369371
PubChem CID:	127332664
Reduced:	O3N4C20H34 (1)
Stoich.:	A3B4C20D34 (1)
Weight, g/mol:	361.080636
ΔH_f, kcal/mol:	-117.04
Dipole, Da:	4.65
IP(EA), eV:	-9.08(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CC2CCCN(C2)C(=O)NCC3CCCOC3C(C)(C)C

DOS

IR

Vibrations