Geometry & MOs

Info

ID:	127784
PubChem CID:	51015007
Reduced:	NO4C12H13 (2)
Stoich.:	AB4C12D13 (2)
Weight, g/mol:	413.04879
ΔH_f, kcal/mol:	-287.63
Dipole, Da:	3.24
IP(EA), eV:	-9.06(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-iodoanilino)-2-oxoethyl] 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate

Drug info:

PubChemData

Smile

C[C@@H]1C2C(C3[C@@H](C(=O)/C(=C(\N)/O)/C(=O)[C@]3(C(=O)C2=C(C4=C1C=CC(=C4O)C=C)O)O)N(C)C)O

DOS

IR

Vibrations