Geometry & MOs

Info

ID:	168602
PubChem CID:	74993383
Reduced:	O14C37H50 (1)
Stoich.:	A14B37C50 (1)
Weight, g/mol:	2124.999749
ΔH_f, kcal/mol:	-521.59
Dipole, Da:	5.32
IP(EA), eV:	-9.36(-2.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCC(C)CC(C)C=CC(=O)OC1C(C2(OC(C(C1(O2)C(=O)OC)(C(=O)OC)O)C(=O)O)CCC(=C)C(C(C)CC3=CC=CC=C3)OC(=O)C)O

DOS

IR

Vibrations