Geometry & MOs

Info

ID:	313080
PubChem CID:	126611709
Reduced:	PN5O5F9C46H71 (1)
Stoich.:	AB5C5D9E46F71 (1)
Weight, g/mol:	330.9164
ΔH_f, kcal/mol:	-738.0
Dipole, Da:	6.1
IP(EA), eV:	-8.46(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-iodosulfanylquinoline-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)N(C(C)C)P(OCCC=N)O[C@@H]1CCC(C1)N(C)CCCOC2=CC3=C(C=C2)C4CC[C@@]5([C@H](CCC5C4CC3)N(C)C(=O)CN(C)CCOC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)C

DOS

IR

Vibrations