Geometry & MOs

Info

ID:

449945

PubChem CID:

135302750

Reduced:

SO10C23H26 (1)

Stoich.:

AB10C23D26 (1)

Weight, g/mol:

881.368359

ΔHf, kcal/mol:

-365.1

Dipole, Da:

10.61

IP(EA), eV:

 -9.46(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[2-[1-[2-[[(4R)-4-[[4-[[2-(2-methylpropanoylamino)-4-oxo-1H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]pentanoyl]amino]ethoxy]cyclopentyl]oxyethyl]carbamate

Drug info:

PubChemData

Smile

CC(=O)OCC(COC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)OCC(COC(=O)C=C)O)O

DOS

IR

Vibrations