Geometry & MOs

Info

ID:

193702

PubChem CID:

78426815

Reduced:

ClF2O3N4H23C29 (1)

Stoich.:

AB2C3D4E23F29 (1)

Weight, g/mol:

528.197297

ΔHf, kcal/mol:

-91.73

Dipole, Da:

3.61

IP(EA), eV:

 -8.93(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3-fluoroazetidine-1-carbonyl)-9-[1-(4-fluorophenyl)ethyl]carbazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C2=CC(=C3C(=C2)N(C4=C3C=C(C=C4)C(=O)N5CC(C5)F)CC6=C(C=C(C=C6)Cl)F)C(=O)N

DOS

IR

Vibrations