Geometry & MOs

Info

ID:	120941
PubChem CID:	50751368
Reduced:	SN3O3C25H29 (1)
Stoich.:	AB3C3D25E29 (1)
Weight, g/mol:	468.183127
ΔH_f, kcal/mol:	-73.54
Dipole, Da:	4.38
IP(EA), eV:	-9.15(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-N-methyl-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CCN1C(=O)C2=C(CCCC2)C(=N1)C3=CC(=C(C=C3)C)S(=O)(=O)NCC4=CC=C(C=C4)C

DOS

IR

Vibrations