Geometry & MOs

Info

ID:	55343
PubChem CID:	17395257
Reduced:	SO2N3C17H17 (1)
Stoich.:	AB2C3D17E17 (1)
Weight, g/mol:	381.139865
ΔH_f, kcal/mol:	18.76
Dipole, Da:	1.23
IP(EA), eV:	-9.11(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-3-(methylsulfanylmethyl)-N-[(4-prop-2-enoxyphenyl)methyl]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C(=O)N2CCCCC2C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations