Geometry & MOs

Info

ID:	233613
PubChem CID:	91146099
Reduced:	N2F3H7C11 (1)
Stoich.:	A2B3C7D11 (1)
Weight, g/mol:	431.081888
ΔH_f, kcal/mol:	-92.18
Dipole, Da:	4.4
IP(EA), eV:	-10.42(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S)-1-[2-chloro-6-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]pyrrolidin-3-yl]-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C2=C(C=NC=C2)C(F)(F)F

DOS

IR

Vibrations