Geometry & MOs

Info

ID:

439444

PubChem CID:

135229218

Reduced:

SN7O16C51H69 (1)

Stoich.:

AB7C16D51E69 (1)

Weight, g/mol:

470.247047

ΔHf, kcal/mol:

-620.92

Dipole, Da:

6.79

IP(EA), eV:

 -8.88(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z,8Z)-2-[4-[(5Z,8Z)-7,12-dihydropyrido[2,3-c]azecin-2-yl]phenyl]-7,7-dimethyl-12H-pyrido[2,3-c]azecine

Drug info:

PubChemData

Smile

CCCC(=O)OCN([C@@H](C[C@@H](C1=NC(=CS1)C(=O)N[C@H](CC2=CC=C(C=C2)OC(=O)ON3C(=O)CCC3=O)C[C@@H](C)C(=O)ON4C(=O)CCC4=O)OC(=O)C)C(C)C)C(=O)[C@@H](C(C)CC)NC(=O)[C@@H]5CCCCN5C

DOS

IR

Vibrations