Geometry & MOs

Info

ID:	443229
PubChem CID:	135258203
Reduced:	ClSF2O3N4H17C20 (1)
Stoich.:	ABC2D3E4F17G20 (1)
Weight, g/mol:	485.053623
ΔH_f, kcal/mol:	-141.64
Dipole, Da:	6.81
IP(EA), eV:	-8.99(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3-fluoro-4-hydroxypyrrolidin-1-yl)-5-(1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(C[C@@H]1O)C2=C(C=C(C=N2)C(=O)NC3=CC=C(C=C3)OC(F)(F)Cl)C4=CSN=C4

DOS

IR

Vibrations