Geometry & MOs

Info

ID:	174905
PubChem CID:	75829954
Reduced:	BrNO4H14C17 (1)
Stoich.:	ABC4D14E17 (1)
Weight, g/mol:	373.206208
ΔH_f, kcal/mol:	-95.4
Dipole, Da:	6.92
IP(EA), eV:	-9.34(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(1-adamantyl)propyl-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Br)C=CC(=O)OC2=CC=CC(=C2)C(=O)N

DOS

IR

Vibrations