Geometry & MOs

Info

ID:	121196
PubChem CID:	50758331
Reduced:	ClSO2N3H18C22 (1)
Stoich.:	ABC2D3E18F22 (1)
Weight, g/mol:	424.211055
ΔH_f, kcal/mol:	-6.45
Dipole, Da:	7.01
IP(EA), eV:	-8.88(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-(cyclopentylcarbamoyl)-6-methyl-7-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate

Drug info:

PubChemData

Smile

C1C(=O)N(C2=C(S1)N=CC=C2)CC3=CC=C(C=C3)C(=O)NCC4=CC=C(C=C4)Cl

DOS

IR

Vibrations