Geometry & MOs

Info

ID:

422041

PubChem CID:

135117068

Reduced:

NOC6H8 (6)

Stoich.:

ABC6D8 (6)

Weight, g/mol:

596.27809

ΔHf, kcal/mol:

-228.59

Dipole, Da:

7.73

IP(EA), eV:

 -8.73(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,9S,12S,15R)-9-benzyl-3-methyl-7-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-12-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,11,14-tetrone

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](CN(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OC)CC(C)C)C(=O)C3=CN(C4=CC=CC=C43)C)C(C)C

DOS

IR

Vibrations