Geometry & MOs

Info

ID:	52936
PubChem CID:	14709238
Reduced:	KN2O2S2C11H13 (1)
Stoich.:	AB2C2D2E11F13 (1)
Weight, g/mol:	270.04967
ΔH_f, kcal/mol:	-86.21
Dipole, Da:	12.13
IP(EA), eV:	-7.55(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[2-(4-ethoxyphenyl)acetyl]amino]carbamodithioic acid

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C/C(=N/NC(=S)S)/[O-].[K+]

DOS

IR

Vibrations