Geometry & MOs

Info

ID:

438619

PubChem CID:

135228363

Reduced:

O3N5C24H37 (1)

Stoich.:

A3B5C24D37 (1)

Weight, g/mol:

1278.747527

ΔHf, kcal/mol:

-133.26

Dipole, Da:

3.31

IP(EA), eV:

 -8.4(0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

prop-2-enyl 2-[[(3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-[[4-[[(2S)-5-(carbamoylamino)-2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]pentanoyl]amino]phenyl]methoxycarbonyl-methylamino]-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxypropanoyl]amino]-2-hydroxy-3-phenylpropanoate

Drug info:

PubChemData

Smile

CCC(C)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCCNC(=O)N)C(=O)C(C)C

DOS

IR

Vibrations