Geometry & MOs

Info

ID:	147926
PubChem CID:	53787586
Reduced:	ClON3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	329.064113
ΔH_f, kcal/mol:	3.7
Dipole, Da:	1.52
IP(EA), eV:	-9.49(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(4-chlorophenyl)prop-2-enoyl]-N,N-dimethylbenzenecarbothioamide

Drug info:

PubChemData

Smile

CC1=CC=NN1CN(C2=CC=CC=C2)C(=O)C(C)Cl

DOS

IR

Vibrations