Geometry & MOs

Info

ID:	51960
PubChem CID:	12014731
Reduced:	ClSN2H15C18 (1)
Stoich.:	ABC2D15E18 (1)
Weight, g/mol:	312.048797
ΔH_f, kcal/mol:	96.98
Dipole, Da:	3.58
IP(EA), eV:	-8.28(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chlorophenyl)-(2-phenylsulfanylpyridin-1-ium-1-yl)azanide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SC2=CC=CC=[N+]2[N-]C3=CC=C(C=C3)Cl

DOS

IR

Vibrations