Geometry & MOs

Info

ID:	141297
PubChem CID:	52855876
Reduced:	NOSC19H25 (1)
Stoich.:	ABCD19E25 (1)
Weight, g/mol:	316.173511
ΔH_f, kcal/mol:	-0.01
Dipole, Da:	4.37
IP(EA), eV:	-8.04(0.17)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3-methoxy-4-methylsulfanylphenyl)methyl-methyl-[(1R)-1-phenylpropyl]azanium

Drug info:

PubChemData

Smile

CC[C@@H](C1=CC=CC=C1)N(C)CC2=CC(=C(C=C2)SC)OC

DOS

IR

Vibrations