Geometry & MOs

Info

ID:	307130
PubChem CID:	125269316
Reduced:	ClON4C18H23 (1)
Stoich.:	ABC4D18E23 (1)
Weight, g/mol:	428.168225
ΔH_f, kcal/mol:	90.09
Dipole, Da:	7.65
IP(EA), eV:	-8.82(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-3-(4-fluorophenyl)-6-methyl-2H-pyrrolo[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)N(CCN1CN=C2C3=C(C=CC=C3Cl)N=C2C1=O)C(C)C

DOS

IR

Vibrations