Geometry & MOs

Info

ID:	295033
PubChem CID:	117512279
Reduced:	BrNS2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	332.162374
ΔH_f, kcal/mol:	34.33
Dipole, Da:	2.93
IP(EA), eV:	-8.43(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxy-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C1(CC1)C2=CC(=C(C(=C2)Br)SC)SC)N

DOS

IR

Vibrations