Geometry & MOs

Info

ID:	447598
PubChem CID:	135284137
Reduced:	NF2O2C20H21 (1)
Stoich.:	AB2C2D20E21 (1)
Weight, g/mol:	531.102195
ΔH_f, kcal/mol:	-149.19
Dipole, Da:	3.13
IP(EA), eV:	-9.68(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-6-fluoro-4-[(2S,4R)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide

Drug info:

PubChemData

Smile

C1CN(C(CC1CF)C2=CC=C(C=C2)F)C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations