Geometry & MOs

Info

ID:	205168
PubChem CID:	80063088
Reduced:	BrNO2S2C12H18 (1)
Stoich.:	ABC2D2E12F18 (1)
Weight, g/mol:	350.99623
ΔH_f, kcal/mol:	-70.52
Dipole, Da:	5.04
IP(EA), eV:	-9.34(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromothiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanamine

Drug info:

PubChemData

Smile

CS(=O)(=O)C1CCCC(C1)C(C2=CC=C(S2)Br)N

DOS

IR

Vibrations