Geometry & MOs

Info

ID:	237870
PubChem CID:	92722415
Reduced:	FSN3O4C22H26 (1)
Stoich.:	ABC3D4E22F26 (1)
Weight, g/mol:	447.162806
ΔH_f, kcal/mol:	-177.57
Dipole, Da:	1.25
IP(EA), eV:	-9.51(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1N2C(=O)CN(C[C@@]2(C)C(=O)NCC3=CC=C(C=C3)F)S(=O)(=O)C

DOS

IR

Vibrations