Geometry & MOs

Info

ID:	152685
PubChem CID:	56311714
Reduced:	SN4O5C24H32 (1)
Stoich.:	AB4C5D24E32 (1)
Weight, g/mol:	413.21147
ΔH_f, kcal/mol:	-162.2
Dipole, Da:	6.15
IP(EA), eV:	-8.67(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1C(C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N(C)C)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations