Geometry & MOs

Info

ID:	39613
PubChem CID:	8141636
Reduced:	SF2N2O3H14C20 (1)
Stoich.:	AB2C2D3E14F20 (1)
Weight, g/mol:	423.198048
ΔH_f, kcal/mol:	-134.78
Dipole, Da:	3.1
IP(EA), eV:	-8.82(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,7R)-3-acetamido-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide

Drug info:

PubChemData

Smile

C1C2=C(C3=CC=CC=C3O1)SC(=C2)C(=O)NCC(=O)NC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations