Geometry & MOs

Info

ID:	237872
PubChem CID:	92722444
Reduced:	FSN3O5C22H26 (1)
Stoich.:	ABC3D5E22F26 (1)
Weight, g/mol:	477.17337
ΔH_f, kcal/mol:	-204.28
Dipole, Da:	5.42
IP(EA), eV:	-9.13(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@]1(CN(CC(=O)N1CC2=CC(=CC=C2)OC)S(=O)(=O)C)C(=O)NCC3=CC=C(C=C3)F

DOS

IR

Vibrations