Geometry & MOs

Info

ID:	153185
PubChem CID:	56312337
Reduced:	SN4O5C23H28 (1)
Stoich.:	AB4C5D23E28 (1)
Weight, g/mol:	439.247107
ΔH_f, kcal/mol:	-155.54
Dipole, Da:	5.52
IP(EA), eV:	-8.65(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)N2CCC3=C2C=CC(=C3)S(=O)(=O)N)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations