Geometry & MOs

Info

ID:

432710

PubChem CID:

135172847

Reduced:

SN6C40H46 (1)

Stoich.:

AB6C40D46 (1)

Weight, g/mol:

1013.587128

ΔHf, kcal/mol:

136.59

Dipole, Da:

1.27

IP(EA), eV:

 -8.15(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2R,3R)-3-[(3S)-2-[(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]-6-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CC1=NC[C@@H](N=C(C2=CC=CC(=N2)C(=NC[C@@H](N=C(C3=CC=CC1=N3)C)CC4=CC=C(C=C4)SC)C)C)CC5=CC=C(C=C5)C(C)C

DOS

IR

Vibrations