Geometry & MOs

Info

ID:	144497
PubChem CID:	53378230
Reduced:	O2F3N6C30H39 (1)
Stoich.:	A2B3C6D30E39 (1)
Weight, g/mol:	522.198857
ΔH_f, kcal/mol:	-208.02
Dipole, Da:	7.65
IP(EA), eV:	-8.95(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)-N-methyl-6-[4-methylpentyl(methylsulfonyl)amino]-5-phenyl-1-benzofuran-3-carboxamide

Drug info:

PubChemData

Smile

CC1(CCC(CC1)CNC23CCC(CC2)(CC3)CNC4=NC(=NC=C4C#N)NCC5=CC=CC=C5OC(F)(F)F)O

DOS

IR

Vibrations