Geometry & MOs

Info

ID:

308365

PubChem CID:

125326553

Reduced:

O4N6H16C17 (1)

Stoich.:

A4B6C16D17 (1)

Weight, g/mol:

532.214427

ΔHf, kcal/mol:

20.33

Dipole, Da:

9.79

IP(EA), eV:

 -9.45(-1.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2S,11S)-N-[(2S)-4-methylsulfanyl-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]butan-2-yl]-9-oxo-10,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-3,5,7,13,15,17,19-heptaene-11-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=NC(=NC1=O)N2C(=CC(=N2)C)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

DOS

IR

Vibrations