Geometry & MOs

Info

ID:	79196
PubChem CID:	49747368
Reduced:	SN3O5C26H31 (1)
Stoich.:	AB3C5D26E31 (1)
Weight, g/mol:	512.209341
ΔH_f, kcal/mol:	-179.93
Dipole, Da:	7.61
IP(EA), eV:	-9.2(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,5-dimethoxyphenyl)-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2CCNC(=O)CCCN3C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations