Geometry & MOs

Info

ID:	194217
PubChem CID:	78500674
Reduced:	SO3N4C21H24 (1)
Stoich.:	AB3C4D21E24 (1)
Weight, g/mol:	404.118378
ΔH_f, kcal/mol:	-19.75
Dipole, Da:	7.53
IP(EA), eV:	-8.36(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C2NCC(O2)CSC3=NN=C(O3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations