Geometry & MOs

Info

ID:	60425
PubChem CID:	26685891
Reduced:	SN4O7C20H28 (1)
Stoich.:	AB4C7D20E28 (1)
Weight, g/mol:	432.183127
ΔH_f, kcal/mol:	-233.85
Dipole, Da:	5.54
IP(EA), eV:	-8.66(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC(=O)NC2=CC(=C(C(=C2)OC)OC)OC)C)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations