Geometry & MOs

Info

ID:

448078

PubChem CID:

135288248

Reduced:

FO2N9H32C34 (1)

Stoich.:

AB2C9D32E34 (1)

Weight, g/mol:

866.551728

ΔHf, kcal/mol:

98.55

Dipole, Da:

13.16

IP(EA), eV:

 -8.62(-2.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[[1-[[1-[[3-ethyl-1-[(2S)-2-[3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylamino]oxyphenyl]carbamic acid

Drug info:

PubChemData

Smile

C1CCN(C1)CCOC2=CC(=CC(=C2)C3=NC=CC4=N/C(=C/5\C6=C(C=CC(=N6)C7=CC(=CN=C7)NC(=O)C8CCC8)NN5)/N=C43)F

DOS

IR

Vibrations