Geometry & MOs

Info

ID:

446832

PubChem CID:

135278070

Reduced:

N4O8C35H60 (1)

Stoich.:

A4B8C35D60 (1)

Weight, g/mol:

582.4913

ΔHf, kcal/mol:

-407.13

Dipole, Da:

4.33

IP(EA), eV:

 -9.28(-1.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E,4E)-2-ethenyl-5-[[(3Z,6E)-6-[[(1Z,7Z)-5-(2-ethyl-2-methylbutyl)cycloocta-1,4,7-trien-1-yl]methyl]-3-propylnona-3,6,8-trienylidene]amino]-N-(4-methylpent-4-enyl)penta-2,4-dien-1-amine

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H]([C@@H](CC(=O)OCC(C)C)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)CCCCCN1C(=O)C=CC1=O

DOS

IR

Vibrations