Geometry & MOs

Info

ID:	157443
PubChem CID:	56424156
Reduced:	OSN2C19H24 (1)
Stoich.:	ABC2D19E24 (1)
Weight, g/mol:	435.03646
ΔH_f, kcal/mol:	-33.65
Dipole, Da:	4.57
IP(EA), eV:	-9.09(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C(=O)NCCCC2=NC3=C(S2)CCCC3)C

DOS

IR

Vibrations