Geometry & MOs

Info

ID:	174581
PubChem CID:	75788161
Reduced:	BrNSO4H20C21 (1)
Stoich.:	ABCD4E20F21 (1)
Weight, g/mol:	473.150823
ΔH_f, kcal/mol:	-99.16
Dipole, Da:	6.85
IP(EA), eV:	-9.5(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=C2)C(=O)N(CC3=CC(=CC=C3)Br)C4CCS(=O)(=O)C4

DOS

IR

Vibrations