Geometry & MOs

Info

ID:	162543
PubChem CID:	57395001
Reduced:	SiO5C26H44 (1)
Stoich.:	AB5C26D44 (1)
Weight, g/mol:	473.99104
ΔH_f, kcal/mol:	-300.03
Dipole, Da:	3.59
IP(EA), eV:	-8.89(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-fluoro-4-iodoanilino)-5,5-dimethyl-8-oxo-6,7-dihydro-4H-thieno[2,3-c]azepine-3-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2C/C=C/3\[C@@H](COC3=O)O)(C)CO[Si](C)(C)C(C)(C)C)O

DOS

IR

Vibrations