Geometry & MOs

Info

ID:	220188
PubChem CID:	85165340
Reduced:	SiN2O7C37H56 (1)
Stoich.:	AB2C7D37E56 (1)
Weight, g/mol:	668.553232
ΔH_f, kcal/mol:	-377.12
Dipole, Da:	1.6
IP(EA), eV:	-8.89(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

heptatetraconta-4,21,27,44-tetraen-1,12,15,46-tetrayne-3,14-diol

Drug info:

PubChemData

Smile

CC(C)[Si](C(C)C)(C(C)C)OC1=CC2=C(C=C1)C(C(CO2)N3CCC(CC3)(C4=CC=CC=C4)O)OC(=O)C(C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations