Geometry & MOs

Info

ID:	122063
PubChem CID:	50792452
Reduced:	SO2N3C20H27 (1)
Stoich.:	AB2C3D20E27 (1)
Weight, g/mol:	440.253589
ΔH_f, kcal/mol:	-57.12
Dipole, Da:	2.26
IP(EA), eV:	-8.64(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-6-N-(3-methylbutyl)-8-oxo-7-propyl-1-N-(pyridin-2-ylmethyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

Drug info:

PubChemData

Smile

CC1C2=CC=CN2C3=C(CN1C(=O)NCCCOC)C4=C(S3)CCCC4

DOS

IR

Vibrations