Geometry & MOs

Info

ID:	299874
PubChem CID:	117815962
Reduced:	ClON3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	500.103991
ΔH_f, kcal/mol:	-10.81
Dipole, Da:	2.83
IP(EA), eV:	-8.97(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-(2,4-difluorophenyl)propan-2-yl]phenyl]-5-(methanesulfonamido)-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CNC[C@@H](N1C2=NC3=C(O2)C(=CC(=C3)Cl)C)C

DOS

IR

Vibrations