Geometry & MOs

Info

ID:

229405

PubChem CID:

87567563

Reduced:

SF3O4N5C19H22 (1)

Stoich.:

AB3C4D5E19F22 (1)

Weight, g/mol:

919.520762

ΔHf, kcal/mol:

-217.8

Dipole, Da:

5.44

IP(EA), eV:

 -9.22(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S)-5-amino-1-[(2S,5R)-2-[4-[[N-[[4-[(2S,5R)-1-[(2S)-5-amino-2-[carboxy(methyl)amino]-3,3-dimethyl-5-oxopentanoyl]-5-prop-2-enylpyrrolidin-2-yl]phenyl]methyl]anilino]methyl]phenyl]-5-prop-2-enylpyrrolidin-1-yl]-3,3-dimethyl-1,5-dioxopentan-2-yl]-methylcarbamic acid

Drug info:

PubChemData

Smile

CC(=O)SC\1CCNC/C1=C\C2=NN(N=N2)CC3=CC=C(C=C3)OC.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations