Geometry & MOs

Info

ID:	147461
PubChem CID:	53787117
Reduced:	ClSN2O3C24H25 (1)
Stoich.:	ABC2D3E24F25 (1)
Weight, g/mol:	343.178358
ΔH_f, kcal/mol:	-76.3
Dipole, Da:	1.76
IP(EA), eV:	-8.59(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-amino-6,7-dimethyl-3-oxo-1H-2-benzofuran-5-yl)but-2-en-2-yl]cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)C2=CC=C(C=C2)Cl)CCCOC(=O)NC3=CC4=C(C=C3)C=CS4

DOS

IR

Vibrations