Geometry & MOs

Info

ID:	174579
PubChem CID:	75788159
Reduced:	O2S2N3H17C21 (1)
Stoich.:	A2B2C3D17E21 (1)
Weight, g/mol:	439.18173
ΔH_f, kcal/mol:	66.85
Dipole, Da:	5.31
IP(EA), eV:	-8.9(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=C2)C(=O)NC3=NN=C(S3)SCC=CC4=CC=CC=C4

DOS

IR

Vibrations