Geometry & MOs

Info

ID:	196401
PubChem CID:	78819595
Reduced:	OSN3C21H27 (1)
Stoich.:	ABC3D21E27 (1)
Weight, g/mol:	412.122356
ΔH_f, kcal/mol:	7.56
Dipole, Da:	3.31
IP(EA), eV:	-8.71(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-3-methyl-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)CC2=CSC(=N2)NC(=O)C3(CCC3)C4=CC=CC=C4

DOS

IR

Vibrations