Geometry & MOs

Info

ID:	221387
PubChem CID:	85272345
Reduced:	NO3C13H15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	233.054421
ΔH_f, kcal/mol:	-93.3
Dipole, Da:	1.3
IP(EA), eV:	-9.69(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methyl-1-oxo-1-prop-2-enoxybutan-2-yl)carbamodithioic acid

Drug info:

PubChemData

Smile

C1C=CC(C(N1C(=O)C2=CC=CC=C2)CO)O

DOS

IR

Vibrations