Geometry & MOs

Info

ID:	420951
PubChem CID:	135115115
Reduced:	ClN2O4C18H23 (1)
Stoich.:	AB2C4D18E23 (1)
Weight, g/mol:	366.136176
ΔH_f, kcal/mol:	-162.09
Dipole, Da:	4.63
IP(EA), eV:	-9.51(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-indazol-2-ylacetamide

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)COC3=CC(=CC=C3)Cl)C(=O)O

DOS

IR

Vibrations