Geometry & MOs

Info

ID:	152752
PubChem CID:	56311814
Reduced:	SN3O5C20H27 (1)
Stoich.:	AB3C5D20E27 (1)
Weight, g/mol:	399.19582
ΔH_f, kcal/mol:	-142.35
Dipole, Da:	4.8
IP(EA), eV:	-8.69(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[3-(4-fluoroanilino)-3-oxopropyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC2=CC=C(O2)S(=O)(=O)N(C)C)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations