Geometry & MOs

Info

ID:	302702
PubChem CID:	124392034
Reduced:	N2O9C25H26 (1)
Stoich.:	A2B9C25D26 (1)
Weight, g/mol:	432.171893
ΔH_f, kcal/mol:	-274.48
Dipole, Da:	6.01
IP(EA), eV:	-9.04(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(2,5-dimethoxyphenyl)sulfonyl-N-(2,4-dimethylphenyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)OC)OC1=C(C=C(C=C1OC)/C=C\2/C(=O)N(C(=O)N2)CC3=CC=C(O3)C(=O)OC)CC=C

DOS

IR

Vibrations