Geometry & MOs

Info

ID:	407169
PubChem CID:	135079493
Reduced:	ClOSF3N3H7C11 (1)
Stoich.:	ABCD3E3F7G11 (1)
Weight, g/mol:	367.1606
ΔH_f, kcal/mol:	-138.33
Dipole, Da:	5.24
IP(EA), eV:	-9.33(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-but-2-ynyl-N-[(E)-3-(2,6-dimethylphenyl)prop-2-enyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1NC(=S)C(C#N)C(=O)N)Cl)C(F)(F)F

DOS

IR

Vibrations