Geometry & MOs

Info

ID:	60428
PubChem CID:	26685894
Reduced:	SN4O4C23H28 (1)
Stoich.:	AB4C4D23E28 (1)
Weight, g/mol:	456.183127
ΔH_f, kcal/mol:	-111.58
Dipole, Da:	6.43
IP(EA), eV:	-9.1(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-[(1S)-1-naphthalen-2-ylethyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC(=O)N[C@H](C)C2=CC3=CC=CC=C3C=C2)C)S(=O)(=O)N4CCOCC4

DOS

IR

Vibrations