Geometry & MOs

Info

ID:

168762

PubChem CID:

75014935

Reduced:

SN5O8C35H57 (1)

Stoich.:

AB5C8D35E57 (1)

Weight, g/mol:

420.193674

ΔHf, kcal/mol:

-410.68

Dipole, Da:

6.05

IP(EA), eV:

 -8.65(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9,17-bis(3-methylbut-2-enyl)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-16-ol

Drug info:

PubChemData

Smile

CCCCC(C(=O)NCC1=CC(=CC=C1)C(=O)O)NC(=O)CC(C(CC(C)C)NC(=O)C(CCSC)NC(=O)C(C(C)CC)NC(=O)C)O

DOS

IR

Vibrations