Geometry & MOs

Info

ID:	190453
PubChem CID:	78008054
Reduced:	O5C31H50 (1)
Stoich.:	A5B31C50 (1)
Weight, g/mol:	398.979
ΔH_f, kcal/mol:	-270.24
Dipole, Da:	4.35
IP(EA), eV:	-8.95(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-iodophenyl)acetic acid

Drug info:

PubChemData

Smile

CC1CC(OC2=C1C3(CCC45C(C46CCC(C(C6CCC5C3(C2O)C)(C)C)O)C)C)C(C(C)(C)O)O

DOS

IR

Vibrations