Geometry & MOs

Info

ID:	350581
PubChem CID:	127278616
Reduced:	SN4O5C16H26 (1)
Stoich.:	AB4C5D16E26 (1)
Weight, g/mol:	366.172562
ΔH_f, kcal/mol:	-200.64
Dipole, Da:	5.67
IP(EA), eV:	-9.45(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-azabicyclo[2.2.1]heptan-2-yl-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C)S(=O)(=O)N2CCCC(C2)C(=O)NCC3COCCO3

DOS

IR

Vibrations