Geometry & MOs

Info

ID:	446483
PubChem CID:	135275308
Reduced:	BrFNO2H21C22 (1)
Stoich.:	ABCD2E21F22 (1)
Weight, g/mol:	535.1482
ΔH_f, kcal/mol:	-49.16
Dipole, Da:	4.32
IP(EA), eV:	-8.79(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[6-bromo-2-methanimidoyl-3-(oxan-2-ylamino)phenoxy]-1-(4-fluorophenyl)ethyl]carbamate

Drug info:

PubChemData

Smile

CNC(COC1=C(C=CC(=C1)OCC2=CC=CC=C2)Br)C3=CC=C(C=C3)F

DOS

IR

Vibrations