Geometry & MOs

Info

ID:	37433
PubChem CID:	8021034
Reduced:	SN2O5C20H26 (1)
Stoich.:	AB2C5D20E26 (1)
Weight, g/mol:	317.126323
ΔH_f, kcal/mol:	-174.4
Dipole, Da:	12.69
IP(EA), eV:	-8.99(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[[2-[(2E,4E)-hexa-2,4-dienoyl]oxyacetyl]amino]methyl]benzoate

Drug info:

PubChemData

Smile

C/C=C/C=C/C(=O)OCC(=O)NC1=CC(=C(C=C1)C)S(=O)(=O)N2CCCCC2

DOS

IR

Vibrations