Geometry & MOs

Info

ID:	5680
PubChem CID:	13484
Reduced:	ClNS2C21H30 (1)
Stoich.:	ABC2D21E30 (1)
Weight, g/mol:	395.15082
ΔH_f, kcal/mol:	0.9
Dipole, Da:	6.19
IP(EA), eV:	-8.63(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-butylsulfanylphenyl)-phenylmethyl]sulfanylethyl-dimethylazanium;chloride

Drug info:

PubChemData

Smile

CCCCSC1=CC=C(C=C1)C(C2=CC=CC=C2)SCC[NH+](C)C.[Cl-]

DOS

IR

Vibrations