Geometry & MOs

Info

ID:	419732
PubChem CID:	135108915
Reduced:	NO3C12H21 (1)
Stoich.:	AB3C12D21 (1)
Weight, g/mol:	384.183127
ΔH_f, kcal/mol:	-148.89
Dipole, Da:	7.8
IP(EA), eV:	-9.44(0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@@]12CCCN(C2)CC(=O)O

DOS

IR

Vibrations