Geometry & MOs

Info

ID:	366354
PubChem CID:	127319819
Reduced:	ON7C19H23 (1)
Stoich.:	AB7C19D23 (1)
Weight, g/mol:	383.141596
ΔH_f, kcal/mol:	53.85
Dipole, Da:	2.65
IP(EA), eV:	-9.1(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-oxopropyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N2C(=C(C(=N2)C)CC(=O)N3CCN4C=CN=C4C3)C)C

DOS

IR

Vibrations