Geometry & MOs

Info

ID:	436529
PubChem CID:	135204973
Reduced:	FO2N7C25H28 (1)
Stoich.:	AB2C7D25E28 (1)
Weight, g/mol:	412.13176
ΔH_f, kcal/mol:	3.72
Dipole, Da:	4.32
IP(EA), eV:	-8.49(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyano-N-[4-[6-cyano-3-(2-methoxyethoxy)pyridin-2-yl]-1,3-thiazol-2-yl]-N-methylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=NO1)C(=O)NCC2=C(C=C(C=C2)C3=C4C(=NC=C3)NN=C4N5CC[C@H](C5)N)F

DOS

IR

Vibrations