Geometry & MOs

Info

ID:

315113

PubChem CID:

126624489

Reduced:

N5O7C38H65 (1)

Stoich.:

A5B7C38D65 (1)

Weight, g/mol:

1018.66782

ΔHf, kcal/mol:

-354.55

Dipole, Da:

5.16

IP(EA), eV:

 -8.98(0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-hydrazinyl-N-[2-[2-[2-[[1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-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]amino]-3-methyl-1-oxobutan-2-yl]-methylamino]-2-oxoethoxy]ethoxy]ethyl]-7-oxoheptanamide

Drug info:

PubChemData

Smile

CCC(C)C([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)NCCC2=CC=CC=C2O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)C(C(C)C)NC

DOS

IR

Vibrations