Geometry & MOs

Info

ID:	354819
PubChem CID:	127287579
Reduced:	SN2O4C19H28 (1)
Stoich.:	AB2C4D19E28 (1)
Weight, g/mol:	361.218784
ΔH_f, kcal/mol:	-206.55
Dipole, Da:	3.9
IP(EA), eV:	-10.29(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-adamantyl)-2-[1-(4-methyl-1,3-thiazol-2-yl)propylamino]propanamide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CCC12C(=O)N(C(=O)N2)CCC34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations