Geometry & MOs

Info

ID:	300116
PubChem CID:	119526872
Reduced:	ClON2C15H23 (1)
Stoich.:	ABC2D15E23 (1)
Weight, g/mol:	316.137612
ΔH_f, kcal/mol:	-62.73
Dipole, Da:	4.53
IP(EA), eV:	-9.24(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methylsulfanylpropanamide;hydrochloride

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C(CNC(=O)C2CC2)N.Cl

DOS

IR

Vibrations