Geometry & MOs

Info

ID:	425906
PubChem CID:	135130213
Reduced:	SN6O7C37H56 (1)
Stoich.:	AB6C7D37E56 (1)
Weight, g/mol:	452.38656
ΔH_f, kcal/mol:	-326.86
Dipole, Da:	2.55
IP(EA), eV:	-8.89(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylprop-2-enoyloxy)ethyl docosanoate

Drug info:

PubChemData

Smile

CCCC(=O)OCN(CCCC1=NC(=CS1)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C[C@H](C)C(=O)N)C(=O)C([C@@H](C)CC)NC(=O)[C@H]3CCCCN3C

DOS

IR

Vibrations