Geometry & MOs

Info

ID:	174574
PubChem CID:	75788154
Reduced:	N2S2O5C27H32 (1)
Stoich.:	A2B2C5D27E32 (1)
Weight, g/mol:	397.134779
ΔH_f, kcal/mol:	-184.36
Dipole, Da:	4.49
IP(EA), eV:	-8.62(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=C2)C(=O)NC3=C(C4=C(S3)CC(CC4)C(C)(C)C)C(=O)NC5CCS(=O)(=O)C5

DOS

IR

Vibrations