Geometry & MOs

Info

ID:

378473

PubChem CID:

134224556

Reduced:

FSN4O6H35C38 (1)

Stoich.:

ABC4D6E35F38 (1)

Weight, g/mol:

610.373035

ΔHf, kcal/mol:

-165.95

Dipole, Da:

3.98

IP(EA), eV:

 -8.56(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-O-[2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]ethyl] 6-O-methyl 2-tert-butyl-2,3,3,4,4,5,5-heptamethylhexanedioate

Drug info:

PubChemData

Smile

CCN(C1=C(C=C2C(=C1)OC(=C2C(=O)NC)C3=CC=C(C=C3)F)C4=CC(=CC=C4)C(=O)N[C@@]5(CCC6=C(C5)C=CC(=C6)OC)C#N)S(=O)(=O)C

DOS

IR

Vibrations