Geometry & MOs

Info

ID:	242537
PubChem CID:	97301903
Reduced:	SN4O5C21H28 (1)
Stoich.:	AB4C5D21E28 (1)
Weight, g/mol:	203.958268
ΔH_f, kcal/mol:	-155.71
Dipole, Da:	8.6
IP(EA), eV:	-8.63(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloropyridin-3-yl)carbamodithioic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CCCN=C(N)N)C(=O)OCCOC2=CC=CC=C2

DOS

IR

Vibrations