Geometry & MOs

Info

ID:

17352

PubChem CID:

493821

Reduced:

N5O6C41H53 (1)

Stoich.:

A5B6C41D53 (1)

Weight, g/mol:

711.399584

ΔHf, kcal/mol:

-199.71

Dipole, Da:

5.55

IP(EA), eV:

 -8.94(-0.87)

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]-N-(2,2-dimethylpropyl)-4-(2-furo[3,2-c]pyridin-2-ylpropan-2-yl)piperazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(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