Geometry & MOs

Info

ID:

432705

PubChem CID:

135172841

Reduced:

O2N5C29H29 (1)

Stoich.:

A2B5C29D29 (1)

Weight, g/mol:

1001.587128

ΔHf, kcal/mol:

34.57

Dipole, Da:

6.14

IP(EA), eV:

 -8.8(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2R,3R)-3-[(2S,5S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-[6-[3-(aminomethylsulfanyl)-2,5-dioxopyrrolidin-1-yl]hexanoyl-methylamino]-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]-5-methylpyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CN(CC(=O)N1CCC(CC1)C(=O)CC2C3=CC=CC=C3C4=CN=CN24)C5=CC6=C(C=C5)N=CC=C6

DOS

IR

Vibrations