Geometry & MOs

Info

ID:	350580
PubChem CID:	127278615
Reduced:	OSN4C17H22 (1)
Stoich.:	ABC4D17E22 (1)
Weight, g/mol:	386.162391
ΔH_f, kcal/mol:	14.55
Dipole, Da:	5.95
IP(EA), eV:	-8.98(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(1,4-dioxan-2-ylmethyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(N1C(C)C(=O)NC2=NC(=NS2)C3=CC=CC=C3)C

DOS

IR

Vibrations