Geometry & MOs

Info

ID:	237909
PubChem CID:	92722527
Reduced:	FSN3O4C22H26 (1)
Stoich.:	ABC3D4E22F26 (1)
Weight, g/mol:	473.198442
ΔH_f, kcal/mol:	-178.36
Dipole, Da:	4.82
IP(EA), eV:	-9.29(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)[C@]2(CN(CC(=O)N2CC3=CC=C(C=C3)F)S(=O)(=O)C)C

DOS

IR

Vibrations