Geometry & MOs

Info

ID:

45212

PubChem CID:

10509525

Reduced:

N2F5O12H35C37 (1)

Stoich.:

A2B5C12D35E37 (1)

Weight, g/mol:

797.405339

ΔHf, kcal/mol:

-655.18

Dipole, Da:

6.36

IP(EA), eV:

 -9.49(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 5-[3-ethylpent-2-enoyl(methyl)amino]-2-propyl-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate

Drug info:

PubChemData

Smile

C[C@H]([C@@H](C(=O)OC1=C(C(=C(C(=C1F)F)F)F)F)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)C)OC(=O)C)OC(=O)C)N

DOS

IR

Vibrations