Geometry & MOs

Info

ID:	89953
PubChem CID:	49965585
Reduced:	SN3O3C20H21 (1)
Stoich.:	AB3C3D20E21 (1)
Weight, g/mol:	341.173942
ΔH_f, kcal/mol:	-28.01
Dipole, Da:	7.47
IP(EA), eV:	-9.35(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2S)-1-hydroxybutan-2-yl]-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2C3=C(NN=C3C(=O)N2CC(OC)OC)C4=CC=CS4

DOS

IR

Vibrations