Geometry & MOs

Info

ID:	174575
PubChem CID:	75788155
Reduced:	NSO4C22H23 (1)
Stoich.:	ABC4D22E23 (1)
Weight, g/mol:	427.145344
ΔH_f, kcal/mol:	-112.22
Dipole, Da:	5.44
IP(EA), eV:	-9.23(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=CC4=C(O3)C=CC(=C4)C

DOS

IR

Vibrations