Geometry & MOs

Info

ID:

439496

PubChem CID:

135229270

Reduced:

N2O5C62H120 (2)

Stoich.:

A2B5C62D120 (2)

Weight, g/mol:

648.566774

ΔHf, kcal/mol:

-953.44

Dipole, Da:

5.67

IP(EA), eV:

 -8.56(0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

13-(3,6-dimethyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-5,5,8,8,13,16,16,19,19-nonamethyl-13lambda4-thiahexacyclo[10.9.1.02,11.04,9.014,22.015,20]docosane

Drug info:

PubChemData

Smile

CCCCCCCCCN(CCCN1CCCC1)C(=O)C(CCCCCCCC(=O)OCC(CCCCCC)CCCCCCCC)CCCCCCCC(=O)OCC(CCCCCCCC)CCCCCCCCCCC(CCCCCC)COC(=O)CCCCCCCCC(CCCCCCCCC(=O)OCC(CCCC)CCCCCC)C(=O)N(CCCCCCCCC)CCCN(C)C

DOS

IR

Vibrations