Geometry & MOs

Info

ID:

148160

PubChem CID:

53787822

Reduced:

N5O7C45H67 (1)

Stoich.:

A5B7C45D67 (1)

Weight, g/mol:

1074.527343

ΔHf, kcal/mol:

-324.64

Dipole, Da:

2.65

IP(EA), eV:

 -9.02(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[2-[7-[5-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-1-benzofuran-3-yl]-4-chloro-2,6-dicyano-7-oxohepta-3,5-dienoyl]-1-benzofuran-5-yl]butanamide

Drug info:

PubChemData

Smile

CCOC(=O)CNCC1=CC2=C(C=C1)OC[C@@H]2[C@@](CC(C)C)(C(=O)N[C@@H](CCC(=O)NCC(C)C)CC3CCCCC3)N(C(=O)C)C(=O)[C@H](CC4=CC=CC=C4)N

DOS

IR

Vibrations