Geometry & MOs

Info

ID:	366324
PubChem CID:	127319789
Reduced:	SO3N4C16H18 (1)
Stoich.:	AB3C4D16E18 (1)
Weight, g/mol:	396.173231
ΔH_f, kcal/mol:	-59.11
Dipole, Da:	13.86
IP(EA), eV:	-8.86(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanone

Drug info:

PubChemData

Smile

C1CN(S(=O)(=O)C1)C2=CC=CC(=C2)C(=O)N3CCN4C=CN=C4C3

DOS

IR

Vibrations