Geometry & MOs

Info

ID:	237869
PubChem CID:	92722412
Reduced:	FSN3O6C22H26 (1)
Stoich.:	ABC3D6E22F26 (1)
Weight, g/mol:	447.162806
ΔH_f, kcal/mol:	-244.78
Dipole, Da:	6.99
IP(EA), eV:	-9.01(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(2-ethylphenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@]1(CN(CC(=O)N1C2=C(C=C(C=C2)OC)OC)S(=O)(=O)C)C(=O)NCC3=CC=C(C=C3)F

DOS

IR

Vibrations