Geometry & MOs

Info

ID:	136957
PubChem CID:	52129002
Reduced:	SN2O5C22H24 (1)
Stoich.:	AB2C5D22E24 (1)
Weight, g/mol:	391.158372
ΔH_f, kcal/mol:	-146.5
Dipole, Da:	10.24
IP(EA), eV:	-9.33(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-5-propan-2-yl-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@H](O1)C)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(O3)C=CC(=C4)C

DOS

IR

Vibrations