Geometry & MOs

Info

ID:	436517
PubChem CID:	135204795
Reduced:	FO3N8C29H33 (1)
Stoich.:	AB3C8D29E33 (1)
Weight, g/mol:	337.099731
ΔH_f, kcal/mol:	-14.81
Dipole, Da:	5.78
IP(EA), eV:	-8.77(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-cyano-N-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]-N-methylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NOC(=N1)C(=O)NCC2=C(C=C(C=C2)C3=C4C(=NC=C3)NN=C4N5CCC(CC5)NC(=O)C6CC6)F

DOS

IR

Vibrations