Geometry & MOs

Info

ID:

334999

PubChem CID:

127253805

Reduced:

O3N5H23C25 (1)

Stoich.:

A3B5C23D25 (1)

Weight, g/mol:

533.209676

ΔHf, kcal/mol:

-37.99

Dipole, Da:

10.42

IP(EA), eV:

 -8.18(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-7-nitro-18-oxo-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-11,19-diazapentacyclo[11.7.1.02,11.05,10.014,19]henicosa-5(10),6,8,14,16-pentaene-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CC2=C(C1=O)C(C3=CN(C4=CC=CC(=C43)N2)C)C5=CC6=C(C=C5)N(C(=O)N6C)C

DOS

IR

Vibrations