Geometry & MOs

Info

ID:	365076
PubChem CID:	127316818
Reduced:	SN3O3C20H29 (1)
Stoich.:	AB3C3D20E29 (1)
Weight, g/mol:	360.161997
ΔH_f, kcal/mol:	-110.94
Dipole, Da:	3.58
IP(EA), eV:	-8.7(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethyl-3-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)C3CCCCN3S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations