Geometry & MOs

Info

ID:	157514
PubChem CID:	56435368
Reduced:	N4O5C22H30 (1)
Stoich.:	A4B5C22D30 (1)
Weight, g/mol:	447.230411
ΔH_f, kcal/mol:	-204.58
Dipole, Da:	4.86
IP(EA), eV:	-8.75(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-ditert-butylpyrazol-3-yl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)C1CN(C2=CC=CC=C2O1)C(=O)CCCN3C(=O)CN(C3=O)C

DOS

IR

Vibrations