Geometry & MOs

Info

ID:

221747

PubChem CID:

85286102

Reduced:

O9C35H52 (1)

Stoich.:

A9B35C52 (1)

Weight, g/mol:

616.3836

ΔHf, kcal/mol:

-365.93

Dipole, Da:

6.38

IP(EA), eV:

 -9.77(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 1-[3-methyl-2-[methyl-[3-methyl-2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanoyl]amino]butanoyl]pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCCC=CC=CC(=O)OC1C2C3C(O3)(C(C4(C(C2(C(CC1(C(=C)C)O)C)O)C=C(C4=O)C)O)O)CO

DOS

IR

Vibrations