Geometry & MOs

Info

ID:	447604
PubChem CID:	135284197
Reduced:	OSC17H18 (1)
Stoich.:	ABC17D18 (1)
Weight, g/mol:	528.122515
ΔH_f, kcal/mol:	-16.45
Dipole, Da:	0.99
IP(EA), eV:	-8.49(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-[(2R,4S)-2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide

Drug info:

PubChemData

Smile

C1CC(C2=C(C1)C=C(C=C2)SCC3=CC=CC=C3)O

DOS

IR

Vibrations