Geometry & MOs

Info

ID:	443228
PubChem CID:	135258202
Reduced:	ClF2O3N7H16C18 (1)
Stoich.:	AB2C3D7E16F18 (1)
Weight, g/mol:	466.067796
ΔH_f, kcal/mol:	-103.65
Dipole, Da:	8.86
IP(EA), eV:	-9.0(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1,2-thiazol-4-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=NNN=N4

DOS

IR

Vibrations