Geometry & MOs

Info

ID:

435852

PubChem CID:

135192571

Reduced:

N6O9C29H40 (1)

Stoich.:

A6B9C29D40 (1)

Weight, g/mol:

436.179835

ΔHf, kcal/mol:

-366.34

Dipole, Da:

2.63

IP(EA), eV:

 -9.69(-1.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5S,18E)-5-ethyl-18-ethylidene-20-[(E)-2-fluoroprop-1-enyl]-5-hydroxy-7-oxa-11,21-diazapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(21),2,4(9),13,19-pentaene-6,10-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@@H](C(=O)NCC(=O)NCCOCCO)NC(=O)CNC(=O)CNC(=O)CCCCCN2C(=O)C=CC2=O

DOS

IR

Vibrations