Geometry & MOs

Info

ID:	402172
PubChem CID:	135054711
Reduced:	N2O3F6C32H32 (1)
Stoich.:	A2B3C6D32E32 (1)
Weight, g/mol:	405.17625
ΔH_f, kcal/mol:	-338.87
Dipole, Da:	6.05
IP(EA), eV:	-8.98(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-4-methyl-N-[(E)-5-phenylpent-2-enyl]benzenesulfonamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C([C@H](C(=O)OC)NC(C2=CC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)C(F)(F)F)N(CC=C)CC=C

DOS

IR

Vibrations