Geometry & MOs

Info

ID:

16405

PubChem CID:

467088

Reduced:

N6O7C42H64 (1)

Stoich.:

A6B7C42D64 (1)

Weight, g/mol:

764.483648

ΔHf, kcal/mol:

-336.76

Dipole, Da:

6.75

IP(EA), eV:

 -9.22(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-acetamido-N-[(2S)-1-[[(2S,3R)-4-[[(9S,12S)-9-butan-2-yl-8,11-dioxo-2-oxa-7,10-diazabicyclo[12.2.2]octadeca-1(16),14,17-trien-12-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylpentanamide

Drug info:

PubChemData

Smile

CCC(C)[C@H]1C(=O)NCCCCOC2=CC=C(C[C@@H](C(=O)N1)NC[C@H]([C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C)O)C=C2

DOS

IR

Vibrations