Geometry & MOs

Info

ID:	443226
PubChem CID:	135258195
Reduced:	ClSF2O3N5H16C19 (1)
Stoich.:	ABC2D3E5F16G19 (1)
Weight, g/mol:	493.11508
ΔH_f, kcal/mol:	-133.56
Dipole, Da:	7.19
IP(EA), eV:	-9.09(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5-(1,2-thiazol-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=NC=NS4

DOS

IR

Vibrations