Geometry & MOs

Info

ID:	13798
PubChem CID:	398387
Reduced:	NOSC15H17 (1)
Stoich.:	ABCD15E17 (1)
Weight, g/mol:	259.103085
ΔH_f, kcal/mol:	-20.93
Dipole, Da:	5.18
IP(EA), eV:	-8.8(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1-benzothiophen-2-yl)cyclohexyl]formamide

Drug info:

PubChemData

Smile

C1CCC(CC1)(C2=CC3=CC=CC=C3S2)NC=O

DOS

IR

Vibrations