Geometry & MOs

Info

ID:	37431
PubChem CID:	8021030
Reduced:	SN2O5C19H26 (1)
Stoich.:	AB2C5D19E26 (1)
Weight, g/mol:	341.058549
ΔH_f, kcal/mol:	-182.0
Dipole, Da:	9.47
IP(EA), eV:	-8.89(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)COC(=O)/C=C/C=C/C)C

DOS

IR

Vibrations