Geometry & MOs

Info

ID:

16342

PubChem CID:

464871

Reduced:

N2O3C16H20 (2)

Stoich.:

A2B3C16D20 (2)

Weight, g/mol:

576.294785

ΔHf, kcal/mol:

-209.58

Dipole, Da:

8.22

IP(EA), eV:

 -9.03(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(2R)-1-[3-[cyclopropyl-(2-hydroxy-4-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyran-3-yl)methyl]anilino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@H](CC1=CN=CN1)C(=O)NC2=CC=CC(=C2)C(C3CC3)C4=C(OC5=C(C4=O)CCCCCC5)O

DOS

IR

Vibrations