Geometry & MOs

Info

ID:

16438

PubChem CID:

469115

Reduced:

F2O4N5C36H45 (1)

Stoich.:

A2B4C5D36E45 (1)

Weight, g/mol:

649.343961

ΔHf, kcal/mol:

-226.78

Dipole, Da:

3.6

IP(EA), eV:

 -9.07(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-tert-butyl-4-[(2,6-difluorophenyl)methyl]-1-[(2S,4S)-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxo-4-(pyridin-4-ylmethyl)pentyl]piperazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@H](C[C@H](CC2=CC=NC=C2)C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O)O)CC5=C(C=CC=C5F)F

DOS

IR

Vibrations