Geometry & MOs

Info

ID:	236873
PubChem CID:	92715213
Reduced:	BrN3O4C25H28 (1)
Stoich.:	AB3C4D25E28 (1)
Weight, g/mol:	430.203862
ΔH_f, kcal/mol:	-96.99
Dipole, Da:	1.42
IP(EA), eV:	-8.63(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2S)-2-ethylpiperidine-1-carbonyl]-5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCN1CCC[C@@H]1CNC(=O)CN2C3=CC=CC=C3O/C(=C/C4=CC(=C(C=C4)OC)Br)/C2=O

DOS

IR

Vibrations