Geometry & MOs

Info

ID:	232484
PubChem CID:	87576295
Reduced:	NO5C32H53 (1)
Stoich.:	AB5C32D53 (1)
Weight, g/mol:	237.01295
ΔH_f, kcal/mol:	-289.46
Dipole, Da:	3.03
IP(EA), eV:	-8.41(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(ethoxycarbonyl)carbamodithioic acid

Drug info:

PubChemData

Smile

CCCCC(C(=O)OCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)C(=O)OC2CCN(C(C2(C)C)(C)C)C

DOS

IR

Vibrations