Geometry & MOs

Info

ID:

25774

PubChem CID:

630523

Reduced:

N2O8F9C20H23 (1)

Stoich.:

A2B8C9D20E23 (1)

Weight, g/mol:

958.610305

ΔHf, kcal/mol:

-805.53

Dipole, Da:

5.5

IP(EA), eV:

-10.56(-0.74)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

methyl 4-methyl-2-[methyl-[2-[methyl-[3-methyl-2-[methyl-[2-[methyl-[4-methyl-2-[methyl-[2-[methyl-[3-methyl-2-[methyl-[2-[methyl(phenylmethoxycarbonyl)amino]propanoyl]amino]butanoyl]amino]acetyl]amino]pentanoyl]amino]propanoyl]amino]butanoyl]amino]acetyl]amino]pentanoate

Drug info:

PubChemData

Smile

COC(=O)C(CCCC=C(CCC(C(=O)OC)NC(=O)C(F)(F)F)COC(=O)C(F)(F)F)NC(=O)C(F)(F)F

DOS

IR

Vibrations