Geometry & MOs

Info

ID:

438610

PubChem CID:

135228354

Reduced:

N5O7C39H67 (1)

Stoich.:

A5B7C39D67 (1)

Weight, g/mol:

717.50405

ΔHf, kcal/mol:

-364.74

Dipole, Da:

8.84

IP(EA), eV:

 -9.12(0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[[(3S,4R,5R)-1-[(2R)-2-[(1S,2S)-3-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methyl-2-(methylamino)butanamide

Drug info:

PubChemData

Smile

CC[C@@H](C)C([C@H](CC(=O)N1CCC[C@@H]1[C@H]([C@H](C)C(=O)N[C@@H](C)[C@@H](C2=CC=CC=C2)O)OC)OC)N(C)C(=O)[C@@H](C(C)C)NC(=O)[C@@H](C(C)C)NC

DOS

IR

Vibrations