Geometry & MOs

Info

ID:	178066
PubChem CID:	76272490
Reduced:	FSN2O5C23H25 (1)
Stoich.:	ABC2D5E23F25 (1)
Weight, g/mol:	485.183186
ΔH_f, kcal/mol:	-174.81
Dipole, Da:	6.48
IP(EA), eV:	-9.14(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)NCCCOCC2=CC=CO2)NS(=O)(=O)C3=CC=CC=C3F

DOS

IR

Vibrations