Geometry & MOs

Info

ID:

163202

PubChem CID:

57654745

Reduced:

N2O5C65H76 (1)

Stoich.:

A2B5C65D76 (1)

Weight, g/mol:

1600.002987

ΔHf, kcal/mol:

-173.19

Dipole, Da:

5.34

IP(EA), eV:

 -7.81(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1,5-bis[3,5-dimethyl-4-[(4-pentylcyclohexyl)methoxy]anilino]-4,8-bis[[4-[3,5-dimethyl-4-[(4-pentylcyclohexyl)methoxy]phenyl]phenyl]sulfanyl]anthracene-9,10-dione

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)COC2=C(C=C(C=C2C)C3=CC(=C4C(=C3O)C(=O)C5=C(C=C(C(=C5C4=O)O)C6=CC=C(C=C6)C7CCC(CC7)CCCCC)NC8=CC=CC=C8C)NC9=CC=CC=C9C)C

DOS

IR

Vibrations