Geometry & MOs

Info

ID:	5673
PubChem CID:	13474
Reduced:	ClNSC19H24 (1)
Stoich.:	ABCD19E24 (1)
Weight, g/mol:	333.131799
ΔH_f, kcal/mol:	9.99
Dipole, Da:	7.75
IP(EA), eV:	-8.02(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl-[4-(3-methylsulfanylphenyl)-4-phenylbut-3-enyl]azanium;chloride

Drug info:

PubChemData

Smile

C[NH+](C)CCC=C(C1=CC=CC=C1)C2=CC(=CC=C2)SC.[Cl-]

DOS

IR

Vibrations