Geometry & MOs

Info

ID:

448103

PubChem CID:

135288490

Reduced:

FSO2N9H24C27 (1)

Stoich.:

ABC2D9E24F27 (1)

Weight, g/mol:

941.565998

ΔHf, kcal/mol:

92.96

Dipole, Da:

15.01

IP(EA), eV:

 -8.15(-1.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[[1-[[1-[[3-methoxy-1-[(2S)-2-[1-methoxy-2-methyl-3-oxo-3-[[2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]-4-methylpentyl] carbamate

Drug info:

PubChemData

Smile

CN(C)C1=CN=CC(=C1)C2=NC\3=C(C=C2)NN/C3=C\4/N=C5C=CN=C(C5=N4)C6=CC(=CC(=C6)CNS(=O)(=O)C)F

DOS

IR

Vibrations