Geometry & MOs

Info

ID:	5246
PubChem CID:	12824
Reduced:	ClNS2C9H10 (1)
Stoich.:	ABC2D9E10 (1)
Weight, g/mol:	230.994319
ΔH_f, kcal/mol:	33.76
Dipole, Da:	4.42
IP(EA), eV:	-8.91(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-1-ethylsulfanylmethanimidothioic acid

Drug info:

PubChemData

Smile

CCSC(=NC1=CC=C(C=C1)Cl)S

DOS

IR

Vibrations