Geometry & MOs

Info

ID:	447596
PubChem CID:	135284126
Reduced:	S2O3N5C21H23 (1)
Stoich.:	A2B3C5D21E23 (1)
Weight, g/mol:	474.119561
ΔH_f, kcal/mol:	-18.36
Dipole, Da:	11.07
IP(EA), eV:	-9.03(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=CN=CC=C2)[C@@H]3CCOC4=C3C=CC(=C4)S(=O)(=O)NC5=NC=NS5

DOS

IR

Vibrations