Geometry & MOs

Info

ID:	447618
PubChem CID:	135284271
Reduced:	FS2N3O3C23H24 (1)
Stoich.:	AB2C3D3E23F24 (1)
Weight, g/mol:	525.111616
ΔH_f, kcal/mol:	-84.39
Dipole, Da:	9.57
IP(EA), eV:	-8.62(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2S,4R)-2-pyridin-2-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(CN(C1)[C@@H]2CCOC3=CC(=C(C=C23)F)S(=O)(=O)NC4=NC=CS4)C5=CC=CC=C5

DOS

IR

Vibrations