Geometry & MOs

Info

ID:	236880
PubChem CID:	92715268
Reduced:	BrN4O4H19C20 (1)
Stoich.:	AB4C4D19E20 (1)
Weight, g/mol:	434.246396
ΔH_f, kcal/mol:	-59.08
Dipole, Da:	3.69
IP(EA), eV:	-9.09(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[3-[butyl(ethyl)amino]propyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)[C@@H]2C3=C(C[C@@H](N2)C(=O)O)NC=N3)Br)OCC4=CC=CC=N4

DOS

IR

Vibrations