Geometry & MOs

Info

ID:	276492
PubChem CID:	103823797
Reduced:	BrO2S2N3C12H18 (1)
Stoich.:	AB2C2D3E12F18 (1)
Weight, g/mol:	292.160935
ΔH_f, kcal/mol:	-69.99
Dipole, Da:	4.63
IP(EA), eV:	-8.84(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-(3-methylsulfanylcyclohexyl)-3-phenylpropanamide

Drug info:

PubChemData

Smile

CCSC1CCCC1NS(=O)(=O)C2=C(N=CC(=C2)Br)N

DOS

IR

Vibrations