Geometry & MOs

Info

ID:	164209
PubChem CID:	74382296
Reduced:	OSCl2N4C18H18 (1)
Stoich.:	ABC2D4E18F18 (1)
Weight, g/mol:	454.081027
ΔH_f, kcal/mol:	26.85
Dipole, Da:	4.76
IP(EA), eV:	-9.2(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[2-(trifluoromethoxy)phenyl]sulfonylazetidin-2-yl]methyl]-1-benzofuran-4-carboxamide

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C2=CSC(=C2)C(=O)NC(CC3=C(C=C(C=C3)Cl)Cl)CN

DOS

IR

Vibrations