Geometry & MOs

Info

ID:	70999
PubChem CID:	48414163
Reduced:	SN4O4C19H26 (1)
Stoich.:	AB4C4D19E26 (1)
Weight, g/mol:	412.156912
ΔH_f, kcal/mol:	-121.86
Dipole, Da:	6.3
IP(EA), eV:	-9.17(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=C(NN=C3)C

DOS

IR

Vibrations