Geometry & MOs

Info

ID:

438637

PubChem CID:

135228381

Reduced:

N5O8C28H39 (1)

Stoich.:

A5B8C28D39 (1)

Weight, g/mol:

715.488399

ΔHf, kcal/mol:

-362.9

Dipole, Da:

1.36

IP(EA), eV:

 -8.59(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S)-2-[[(2S)-1-[[(3R,4S,5S)-3-methoxy-5-methyl-1-[[2-methyl-1-[[(2S)-1-oxo-3-phenyl-1-prop-2-enoxypropan-2-yl]amino]propyl]amino]-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-4-methylpent-1-en-3-yl]-methylcarbamic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)CCCC(=O)OC2C(=O)CCC2=O

DOS

IR

Vibrations