Geometry & MOs

Info

ID:	357375
PubChem CID:	127294008
Reduced:	SN2O2C21H24 (1)
Stoich.:	AB2C2D21E24 (1)
Weight, g/mol:	398.202799
ΔH_f, kcal/mol:	-46.42
Dipole, Da:	4.28
IP(EA), eV:	-9.14(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1-benzothiophen-2-yl)ethyl]-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C1=NC(=CS1)C2=CC=CC=C2)NC(=O)C3CC4CCCC(C3)C4=O

DOS

IR

Vibrations