Geometry & MOs

Info

ID:	405658
PubChem CID:	135074868
Reduced:	ClNO2F5H11C22 (1)
Stoich.:	ABC2D5E11F22 (1)
Weight, g/mol:	401.14495
ΔH_f, kcal/mol:	-165.15
Dipole, Da:	3.85
IP(EA), eV:	-9.3(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-4-methyl-N-[(E)-4-(4-methylphenyl)but-3-en-1-ynyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/C(=N/OC(=O)C2=C(C(=C(C(=C2F)F)F)F)F)/C3=CC=CC=C3Cl

DOS

IR

Vibrations