Geometry & MOs

Info

ID:	403086
PubChem CID:	135058673
Reduced:	NSF3O3C18H18 (1)
Stoich.:	ABC3D3E18F18 (1)
Weight, g/mol:	289.085127
ΔH_f, kcal/mol:	-239.0
Dipole, Da:	6.93
IP(EA), eV:	-8.94(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-pyrimidin-2-ylindol-2-yl)furan-2-carbaldehyde

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC=CC=C2C(F)(F)F

DOS

IR

Vibrations