Geometry & MOs

Info

ID:	401313
PubChem CID:	135050887
Reduced:	O2S2N3H15C17 (1)
Stoich.:	A2B2C3D15E17 (1)
Weight, g/mol:	372.044979
ΔH_f, kcal/mol:	21.92
Dipole, Da:	8.85
IP(EA), eV:	-8.71(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (Z)-2-amino-3-[(4-methylphenyl)sulfonylcarbamothioyl]but-2-enedioate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC(=S)/C(=C(/C2=CC=CC=C2)\N)/C#N

DOS

IR

Vibrations