Geometry & MOs

Info

ID:	60429
PubChem CID:	26685895
Reduced:	SN4O4C23H28 (1)
Stoich.:	AB4C4D23E28 (1)
Weight, g/mol:	454.144154
ΔH_f, kcal/mol:	-112.04
Dipole, Da:	5.31
IP(EA), eV:	-9.14(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-methoxyphenyl)-2-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]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