Geometry & MOs

Info

ID:	37421
PubChem CID:	8020886
Reduced:	SN2O3C18H18 (1)
Stoich.:	AB2C3D18E18 (1)
Weight, g/mol:	351.04701
ΔH_f, kcal/mol:	-47.59
Dipole, Da:	4.28
IP(EA), eV:	-9.0(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] (2E,4E)-hexa-2,4-dienoate

Drug info:

PubChemData

Smile

C/C=C/C=C/C(=O)OCC1=CSC(=N1)N(C2=CC=CC=C2)C(=O)C

DOS

IR

Vibrations