Geometry & MOs

Info

ID:	60427
PubChem CID:	26685893
Reduced:	SN4O4C21H28 (1)
Stoich.:	AB4C4D21E28 (1)
Weight, g/mol:	456.183127
ΔH_f, kcal/mol:	-134.69
Dipole, Da:	3.99
IP(EA), eV:	-9.19(-0.18)
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-naphthalen-2-ylethyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC(=O)N[C@H]2CCCC3=CC=CC=C23)C)S(=O)(=O)N4CCOCC4

DOS

IR

Vibrations