Geometry & MOs

Info

ID:	37943
PubChem CID:	8025721
Reduced:	OSN8C19H20 (1)
Stoich.:	ABC8D19E20 (1)
Weight, g/mol:	402.139113
ΔH_f, kcal/mol:	99.5
Dipole, Da:	4.81
IP(EA), eV:	-8.44(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3,4-difluoroanilino)-2-oxoethyl] (3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSC3=NN=C(N3C)C4=C(OC=C4)C

DOS

IR

Vibrations