Geometry & MOs

Info

ID:	234438
PubChem CID:	92298437
Reduced:	SN2O2H22C23 (1)
Stoich.:	AB2C2D22E23 (1)
Weight, g/mol:	383.166748
ΔH_f, kcal/mol:	25.7
Dipole, Da:	5.42
IP(EA), eV:	-8.94(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-(1,3-benzothiazol-2-ylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)N/N=C\C1=CC=C(C=C1)OC2=CC=CC=C2)SCC3=CC=CC=C3

DOS

IR

Vibrations