Geometry & MOs

Info

ID:	237868
PubChem CID:	92722377
Reduced:	FSN3O5C24H30 (1)
Stoich.:	ABC3D5E24F30 (1)
Weight, g/mol:	479.152635
ΔH_f, kcal/mol:	-220.07
Dipole, Da:	4.51
IP(EA), eV:	-9.42(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide

Drug info:

PubChemData

Smile

CCCCN1C(=O)CN(C[C@@]1(C)C(=O)NCC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations