Geometry & MOs

Info

ID:	305989
PubChem CID:	124999882
Reduced:	OSN5C24H33 (1)
Stoich.:	ABC5D24E33 (1)
Weight, g/mol:	356.153164
ΔH_f, kcal/mol:	7.49
Dipole, Da:	3.67
IP(EA), eV:	-8.71(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-[(2R)-1-(1H-imidazol-5-ylmethyl)piperidin-2-yl]-2-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine

Drug info:

PubChemData

Smile

CCCNC(=O)CCC1=C(N2C(=CC(=N2)[C@H]3CCCN3CC4=CSC(=C4)C)N=C1C)C

DOS

IR

Vibrations