Geometry & MOs

Info

ID:	366367
PubChem CID:	127319840
Reduced:	O2N4C17H18 (1)
Stoich.:	A2B4C17D18 (1)
Weight, g/mol:	383.141596
ΔH_f, kcal/mol:	-5.34
Dipole, Da:	4.43
IP(EA), eV:	-9.16(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-4-methyl-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-trien-2-one

Drug info:

PubChemData

Smile

C1CC1C(=O)NC2=CC=CC(=C2)C(=O)N3CCN4C=CN=C4C3

DOS

IR

Vibrations