Geometry & MOs

Info

ID:	447593
PubChem CID:	135284095
Reduced:	F2O2S2N6C17H18 (1)
Stoich.:	A2B2C2D6E17F18 (1)
Weight, g/mol:	542.106946
ΔH_f, kcal/mol:	-62.61
Dipole, Da:	12.4
IP(EA), eV:	-8.96(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-6-fluoro-4-[(2S,4R)-2-pyridin-4-yl-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=CNN=C2)CC3=CC(=C(C=C3F)S(=O)(=O)NC4=NC=NS4)F

DOS

IR

Vibrations