Geometry & MOs

Info

ID:	61706
PubChem CID:	26711994
Reduced:	S2N3O5C22H29 (1)
Stoich.:	A2B3C5D22E29 (1)
Weight, g/mol:	444.144296
ΔH_f, kcal/mol:	-172.19
Dipole, Da:	4.2
IP(EA), eV:	-9.35(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H](N1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C)C

DOS

IR

Vibrations