Geometry & MOs

Info

ID:	202163
PubChem CID:	79637891
Reduced:	BrNSO2C15H20 (1)
Stoich.:	ABCD2E15F20 (1)
Weight, g/mol:	299.101371
ΔH_f, kcal/mol:	-71.65
Dipole, Da:	2.07
IP(EA), eV:	-8.84(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(propylamino)-3-thiophen-2-ylsulfanylcyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CNC1(CCCC(C1)SC2=CC=CC=C2Br)C(=O)OC

DOS

IR

Vibrations