Geometry & MOs

Info

ID:	174576
PubChem CID:	75788156
Reduced:	NSO5C23H25 (1)
Stoich.:	ABC5D23E25 (1)
Weight, g/mol:	441.160994
ΔH_f, kcal/mol:	-147.77
Dipole, Da:	4.54
IP(EA), eV:	-8.87(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothiolan-3-yl)-5-methyl-N-[(4-propoxyphenyl)methyl]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=CC4=C(O3)C=CC(=C4)C

DOS

IR

Vibrations