Geometry & MOs

Info

ID:

327599

PubChem CID:

126690470

Reduced:

F3N4O7H31C36 (1)

Stoich.:

A3B4C7D31E36 (1)

Weight, g/mol:

518.202857

ΔHf, kcal/mol:

-320.24

Dipole, Da:

15.23

IP(EA), eV:

 -9.08(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[(2E)-2,5-dimethylhexa-2,4-dienyl]-[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]amino]acetic acid

Drug info:

PubChemData

Smile

COC1CC(=C(C=C1)CC(=O)NC2=CC=C(C=C2)C(=O)N(CC3=CC=C(C=C3)OC(=O)C4=CC=CC=C4N5C=CN=C5)CC(=O)O)C(F)(F)F

DOS

IR

Vibrations