Geometry & MOs

Info

ID:

448174

PubChem CID:

135289006

Reduced:

FON7H26C30 (1)

Stoich.:

ABC7D26E30 (1)

Weight, g/mol:

883.560519

ΔHf, kcal/mol:

117.38

Dipole, Da:

9.99

IP(EA), eV:

 -8.58(-2.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[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]-N,3-dimethyl-2-(methylamino)butanamide

Drug info:

PubChemData

Smile

C1CCN(C1)CCOC2=CC(=CC(=C2)C3=NC=CC4=N/C(=C\5/C6=C(C=CC(=C6)C7=CN=CN=C7)NN5)/C=C43)F

DOS

IR

Vibrations