Geometry & MOs

Info

ID:	37426
PubChem CID:	8020932
Reduced:	NSO5C18H21 (1)
Stoich.:	ABC5D18E21 (1)
Weight, g/mol:	337.03136
ΔH_f, kcal/mol:	-164.25
Dipole, Da:	5.95
IP(EA), eV:	-8.68(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(4-bromoanilino)-1-oxopropan-2-yl] (2E,4E)-hexa-2,4-dienoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)COC(=O)/C=C/C=C/C

DOS

IR

Vibrations