Geometry & MOs

Info

ID:	24898
PubChem CID:	614273
Reduced:	SN2O2C19H26 (1)
Stoich.:	AB2C2D19E26 (1)
Weight, g/mol:	346.171499
ΔH_f, kcal/mol:	-102.61
Dipole, Da:	1.21
IP(EA), eV:	-8.4(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(bicyclo[2.2.1]heptane-2-carbonylamino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Drug info:

PubChemData

Smile

CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3CC4CCC3C4

DOS

IR

Vibrations