Geometry & MOs

Info

ID:	152077
PubChem CID:	56310929
Reduced:	FO3N5C25H28 (1)
Stoich.:	AB3C5D25E28 (1)
Weight, g/mol:	446.162391
ΔH_f, kcal/mol:	-84.22
Dipole, Da:	1.43
IP(EA), eV:	-8.66(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NC2=CC(=NN2C3=CC=C(C=C3)F)C)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations