Geometry & MOs

Info

ID:	432437
PubChem CID:	135172570
Reduced:	NOSH11C13 (1)
Stoich.:	ABCD11E13 (1)
Weight, g/mol:	528.272318
ΔH_f, kcal/mol:	19.8
Dipole, Da:	3.89
IP(EA), eV:	-8.57(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-heptyl-3-[3-[2-(hydroxymethyl)prop-2-enoxymethoxymethoxy]phenyl]phenoxy]methyl 2-(hydroxymethyl)prop-2-enoate

Drug info:

PubChemData

Smile

C1CC2=C(C=C1)SN(C2=O)C3=CC=CC=C3

DOS

IR

Vibrations