Geometry & MOs

Info

ID:	202161
PubChem CID:	79637889
Reduced:	NSO3C15H29 (1)
Stoich.:	ABC3D15E29 (1)
Weight, g/mol:	357.03981
ΔH_f, kcal/mol:	-172.56
Dipole, Da:	3.07
IP(EA), eV:	-8.79(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromophenyl)sulfanyl-1-(ethylamino)cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1(CCCC(C1)SCCOC)NC(C)C

DOS

IR

Vibrations