Geometry & MOs

Info

ID:	237874
PubChem CID:	92722452
Reduced:	FSN3O5C23H28 (1)
Stoich.:	ABC3D5E23F28 (1)
Weight, g/mol:	449.117605
ΔH_f, kcal/mol:	-214.43
Dipole, Da:	6.7
IP(EA), eV:	-9.09(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(3-chlorophenyl)-2-methyl-N-[(4-methylphenyl)methyl]-4-methylsulfonyl-6-oxopiperazine-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1CN2C(=O)CN(C[C@]2(C)C(=O)NCC3=CC=C(C=C3)F)S(=O)(=O)C

DOS

IR

Vibrations