Geometry & MOs

Info

ID:	401697
PubChem CID:	135052162
Reduced:	ClSO3N4C22H23 (1)
Stoich.:	ABC3D4E22F23 (1)
Weight, g/mol:	173.087435
ΔH_f, kcal/mol:	-34.31
Dipole, Da:	8.5
IP(EA), eV:	-9.44(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4-methylsulfanyl-4-(propylamino)but-3-en-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(N=NN2C3CCCCC3)C(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations