Geometry & MOs

Info

ID:	80808
PubChem CID:	49846017
Reduced:	NO5H17C20 (1)
Stoich.:	AB5C17D20 (1)
Weight, g/mol:	322.160266
ΔH_f, kcal/mol:	-97.93
Dipole, Da:	7.07
IP(EA), eV:	-8.24(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-11-(4-methylphenyl)sulfonylundec-10-enal

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NCC2=C3C=CC(=O)OC3=C(C4=C2C=CO4)OC

DOS

IR

Vibrations