Geometry & MOs

Info

ID:	324825
PubChem CID:	126678415
Reduced:	NO3C22H35 (1)
Stoich.:	AB3C22D35 (1)
Weight, g/mol:	374.158552
ΔH_f, kcal/mol:	-141.62
Dipole, Da:	2.95
IP(EA), eV:	-9.3(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(E)-3-(3,3,4,4-tetramethylpentylsulfanyl)prop-2-enoyl]oxypropyl (E)-3-sulfanylprop-2-enoate

Drug info:

PubChemData

Smile

C[C@]12CCCC1[C@H]3CC=C4C[C@@H](CC[C@]4(C3CC2)C)OC(=O)NCCO

DOS

IR

Vibrations