Geometry & MOs

Info

ID:	152189
PubChem CID:	56311062
Reduced:	FN4O4C24H29 (1)
Stoich.:	AB4C4D24E29 (1)
Weight, g/mol:	430.167477
ΔH_f, kcal/mol:	-175.88
Dipole, Da:	7.2
IP(EA), eV:	-8.44(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)N(CCC(=O)N)C2=CC=C(C=C2)F)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations