Geometry & MOs

Info

ID:	378363
PubChem CID:	134224442
Reduced:	FNH16C23 (1)
Stoich.:	ABC16D23 (1)
Weight, g/mol:	625.194832
ΔH_f, kcal/mol:	56.92
Dipole, Da:	1.74
IP(EA), eV:	-9.17(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[5-[[[5-[[6-(2-fluorophenyl)pyridin-3-yl]carbamoyl]-2-(trifluoromethoxy)benzoyl]amino]methyl]pyridin-2-yl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)C3=CC(=C(C=C3)F)C4=CC=CC=N4

DOS

IR

Vibrations