Geometry & MOs

Info

ID:	191754
PubChem CID:	78184108
Reduced:	SN4O9C27H34 (1)
Stoich.:	AB4C9D27E34 (1)
Weight, g/mol:	164.007805
ΔH_f, kcal/mol:	-358.03
Dipole, Da:	13.76
IP(EA), eV:	-9.18(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-(methylamino)-3-oxopropanedithioic acid

Drug info:

PubChemData

Smile

CCCCCNC(=O)C(CC1=CC(=C(C=C1)N(C2=CC=CC=C2C(=O)O)C(=O)C(=O)O)CCC(=O)N)NS(=O)(=O)C

DOS

IR

Vibrations