Geometry & MOs

Info

ID:	143627
PubChem CID:	53237271
Reduced:	O2C25H38 (1)
Stoich.:	A2B25C38 (1)
Weight, g/mol:	481.051953
ΔH_f, kcal/mol:	-111.8
Dipole, Da:	1.94
IP(EA), eV:	-8.7(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2,4-difluoro-3-[4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CCCCCCC(C)(C)C1=CC(=C(C(=C1)O)C2=CC3(CCC2C3(C)C)C)O

DOS

IR

Vibrations