Geometry & MOs

Info

ID:	186926
PubChem CID:	77506463
Reduced:	OC8H12 (3)
Stoich.:	AB8C12 (3)
Weight, g/mol:	506.98098
ΔH_f, kcal/mol:	-160.9
Dipole, Da:	2.02
IP(EA), eV:	-9.82(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[7-(5-bromothiophen-2-yl)dibenzofuran-2-yl]sulfonylamino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2(CCCO)O)CCC4=CC(=O)C5(CC5)CC34C

DOS

IR

Vibrations