Geometry & MOs

Info

ID:	85741
PubChem CID:	49878663
Reduced:	ON2H10C11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	400.121669
ΔH_f, kcal/mol:	18.87
Dipole, Da:	4.0
IP(EA), eV:	-8.35(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-fluoroanilino)-2-oxoethyl]-1,2-dimethyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC2=C(N1C3=CC=C(C=C3)CC(=O)NC4=CC=C(C=C4)OC)N=CC=C2

DOS

IR

Vibrations