Geometry & MOs

Info

ID:	140028
PubChem CID:	52633374
Reduced:	SN4O4C22H22 (1)
Stoich.:	AB4C4D22E22 (1)
Weight, g/mol:	383.13342
ΔH_f, kcal/mol:	-52.52
Dipole, Da:	7.06
IP(EA), eV:	-8.13(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1S)-1-(2-bromophenyl)ethyl]-[2-[(2R)-2-methylmorpholin-4-yl]-2-oxoethyl]-propylazanium

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)NC(=O)NC4CC4

DOS

IR

Vibrations