Geometry & MOs

Info

ID:

432838

PubChem CID:

135172975

Reduced:

SN8H18C22 (1)

Stoich.:

AB8C18D22 (1)

Weight, g/mol:

971.540178

ΔHf, kcal/mol:

213.95

Dipole, Da:

6.2

IP(EA), eV:

 -8.46(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2R,3R)-3-[(3S)-2-[(3R,4S,5S)-4-[[2-[[(2S)-2-[6-[3-(aminomethylsulfanyl)-2,5-dioxopyrrolidin-1-yl]hexanoyl-methylamino]-3-methylbutanoyl]amino]acetyl]-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

CN/C(=C\C1=C(N=NC1=C)C2=NC3=C(N2)C=NC=C3C4=CSC=C4)/C5=CC(=CN=C5)N

DOS

IR

Vibrations