Geometry & MOs

Info

ID:	61133
PubChem CID:	26705985
Reduced:	SN3O5C14H17 (1)
Stoich.:	AB3C5D14E17 (1)
Weight, g/mol:	498.126086
ΔH_f, kcal/mol:	-205.34
Dipole, Da:	2.97
IP(EA), eV:	-9.29(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[2-(4-fluorophenoxy)-5-morpholin-4-ylsulfonylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C(S1)NC(=O)CCN2C(=O)CCC2=O)C

DOS

IR

Vibrations