Geometry & MOs

Info

ID:	223629
PubChem CID:	85335333
Reduced:	ClF2N3O5H16C21 (1)
Stoich.:	AB2C3D5E16F21 (1)
Weight, g/mol:	465.167554
ΔH_f, kcal/mol:	-147.13
Dipole, Da:	3.09
IP(EA), eV:	-9.73(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-N-methyl-6-[4-[1-[[1-(3,3,3-trifluoropropanoylamino)cyclopropanecarbonyl]amino]ethyl]phenyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)OC2=C(C(=NC=N2)OC3=C(C(=CC=C3)F)C(=NOC)C(=O)OC)F

DOS

IR

Vibrations