Geometry & MOs

Info

ID:	81385
PubChem CID:	49854668
Reduced:	FSN3O6C35H44 (1)
Stoich.:	ABC3D6E35F44 (1)
Weight, g/mol:	349.114793
ΔH_f, kcal/mol:	-269.74
Dipole, Da:	4.79
IP(EA), eV:	-9.16(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-fluorophenyl)-4-formyl-5-propan-2-ylphenyl]-N-methylmethanesulfonamide

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NC(=C1/C=C/[C@@H]2C[C@@H](OC(O2)(C)C)CC(=O)OC(C)(C)CC3=CC=CC=C3)C4=CC=C(C=C4)F)N(C)S(=O)(=O)C

DOS

IR

Vibrations