Geometry & MOs

Info

ID:	421345
PubChem CID:	135115810
Reduced:	NSO6H17C18 (1)
Stoich.:	ABC6D17E18 (1)
Weight, g/mol:	387.063125
ΔH_f, kcal/mol:	-172.82
Dipole, Da:	7.41
IP(EA), eV:	-8.91(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@]2([C@@]1(CN(C2)C(=O)CCC3=CC=C(O3)C4=CC=CS4)C(=O)O)C(=O)O

DOS

IR

Vibrations