Geometry & MOs

Info

ID:	136956
PubChem CID:	52129001
Reduced:	SN2O5C22H24 (1)
Stoich.:	AB2C5D22E24 (1)
Weight, g/mol:	428.140593
ΔH_f, kcal/mol:	-144.35
Dipole, Da:	10.14
IP(EA), eV:	-9.22(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-5-methyl-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