Geometry & MOs

Info

ID:	148372
PubChem CID:	53788034
Reduced:	NPSiO9C37H47 (1)
Stoich.:	ABCD9E37F47 (1)
Weight, g/mol:	464.459331
ΔH_f, kcal/mol:	-359.6
Dipole, Da:	5.58
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.919561
Charge, e:	0

Chem-info

IUPAC name:

hentriaconta-9,19-diene-1,31-diol

Drug info:

PubChemData

Smile

CC[Si](CC)(CC)OC(C)C[C@@H]1[C@H]2CC(=O)[N+]2(C=C1COP(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4)C(=O)OCC5=CC=C(C=C5)OC

DOS

IR

Vibrations