Geometry & MOs

Info

ID:	152986
PubChem CID:	56312092
Reduced:	BrSN2O4C21H25 (1)
Stoich.:	ABC2D4E21F25 (1)
Weight, g/mol:	395.220892
ΔH_f, kcal/mol:	-114.84
Dipole, Da:	6.32
IP(EA), eV:	-8.51(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCN1CCS(=O)(=O)C2=CC=C(C=C2)Br)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations