Geometry & MOs

Info

ID:	236985
PubChem CID:	92716619
Reduced:	SO2N5C21H27 (1)
Stoich.:	AB2C5D21E27 (1)
Weight, g/mol:	377.188546
ΔH_f, kcal/mol:	-25.79
Dipole, Da:	2.71
IP(EA), eV:	-9.15(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-butan-2-yl]-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCC1=CC(=O)N2C(=N1)SC(=N2)N(C)CC(=O)N[C@@H](C)CCC3=CC=CC=C3

DOS

IR

Vibrations