Geometry & MOs

Info

ID:

17353

PubChem CID:

493823

Reduced:

N5O6C40H51 (1)

Stoich.:

A5B6C40D51 (1)

Weight, g/mol:

697.383934

ΔHf, kcal/mol:

-188.94

Dipole, Da:

9.73

IP(EA), eV:

 -9.08(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(3S,4S)-3-hydroxy-3,4-dihydro-2H-chromen-4-yl]amino]-5-oxopentyl]-4-(2-furo[3,2-c]pyridin-2-ylpropan-2-yl)-N-(2-methylpropyl)piperazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)[C@@H]1CN(CCN1C[C@H](C[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H]3[C@@H](COC4=CC=CC=C34)O)O)C(C)(C)C5=CC6=C(O5)C=CN=C6

DOS

IR

Vibrations