Geometry & MOs

Info

ID:	152498
PubChem CID:	56311437
Reduced:	FN3O3C22H26 (1)
Stoich.:	AB3C3D22E26 (1)
Weight, g/mol:	445.167142
ΔH_f, kcal/mol:	-134.5
Dipole, Da:	5.81
IP(EA), eV:	-8.58(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[2-(4-methylsulfonylanilino)-2-oxoethyl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CCC(=O)NC2=CC(=CC=C2)F)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations