Geometry & MOs

Info

ID:	396754
PubChem CID:	135029151
Reduced:	ClS2N3H14C18 (1)
Stoich.:	AB2C3D14E18 (1)
Weight, g/mol:	221.990614
ΔH_f, kcal/mol:	107.84
Dipole, Da:	5.41
IP(EA), eV:	-8.76(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-naphthalen-1-yl chloromethanethioate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SC2=C(N3C(=NC(=N3)C4=CC=C(C=C4)Cl)S2)C

DOS

IR

Vibrations