Geometry & MOs

Info

ID:

432764

PubChem CID:

135172901

Reduced:

N2O8H34C35 (1)

Stoich.:

A2B8C34D35 (1)

Weight, g/mol:

1023.629644

ΔHf, kcal/mol:

-239.15

Dipole, Da:

7.96

IP(EA), eV:

 -8.88(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (2S)-2-[[(2R,3R)-3-[(2S,5S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]-5-methylpyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

C/C=C(/CC1(C2=CC=CC=C2N(C1=O)CC3=CC=C(C=C3)CN4C5=CC=CC=C5C(C4=O)(CC(=C)C(=O)OC)O)O)\C(=O)OC

DOS

IR

Vibrations