Geometry & MOs

Info

ID:	147042
PubChem CID:	53786510
Reduced:	O4H20C23 (1)
Stoich.:	A4B20C23 (1)
Weight, g/mol:	237.064592
ΔH_f, kcal/mol:	-89.92
Dipole, Da:	1.59
IP(EA), eV:	-8.34(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl N-(2,4-dimethylphenyl)carbamodithioate

Drug info:

PubChemData

Smile

CC1=C2C=CC(=CC2=C3C(=C1C(=O)OC)C=CC(O3)C4=CC=CC=C4)OC

DOS

IR

Vibrations