Geometry & MOs

Info

ID:	305371
PubChem CID:	124772352
Reduced:	FN3O3C24H26 (1)
Stoich.:	AB3C3D24E26 (1)
Weight, g/mol:	433.21322
ΔH_f, kcal/mol:	-132.78
Dipole, Da:	5.87
IP(EA), eV:	-9.44(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5S,7S)-1-[5-chloro-4-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-6-oxopyridazin-1-yl]adamantane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=C(C=C2)F)CN3CC[C@H](C3)C4=CC=CC=C4

DOS

IR

Vibrations