Geometry & MOs

Info

ID:

184697

PubChem CID:

77194432

Reduced:

O2F3N3C13H16 (1)

Stoich.:

A2B3C3D13E16 (1)

Weight, g/mol:

518.216535

ΔHf, kcal/mol:

-168.41

Dipole, Da:

4.56

IP(EA), eV:

 -8.74(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-7-yl)oxy]-N-(2-methylpropylideneamino)butanamide

Drug info:

PubChemData

Smile

CC1=C(N(C=CC1=NCCNC(=O)C=CC(F)(F)F)O)C

DOS

IR

Vibrations