Geometry & MOs

Info

ID:	12848
PubChem CID:	146862
Reduced:	SI2N2O5H14C15 (1)
Stoich.:	AB2C2D5E14F15 (1)
Weight, g/mol:	587.87129
ΔH_f, kcal/mol:	-139.66
Dipole, Da:	5.43
IP(EA), eV:	-9.79(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5R,6R)-6-[(4-hydroxy-3,5-diiodobenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C3=CC(=C(C(=C3)I)O)I)C(=O)O)C

DOS

IR

Vibrations