Geometry & MOs

Info

ID:	418543
PubChem CID:	135105648
Reduced:	NO3C21H29 (1)
Stoich.:	AB3C21D29 (1)
Weight, g/mol:	387.063125
ΔH_f, kcal/mol:	-141.85
Dipole, Da:	5.17
IP(EA), eV:	-9.34(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,4R)-4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide

Drug info:

PubChemData

Smile

CO[C@@H]1C[C@@H](CC[C@@H]1O)C(=O)N2CCC3(CCC4=CC=CC=C43)CC2

DOS

IR

Vibrations