Geometry & MOs

Info

ID:	441446
PubChem CID:	135234694
Reduced:	SO3N5C25H25 (1)
Stoich.:	AB3C5D25E25 (1)
Weight, g/mol:	483.22704
ΔH_f, kcal/mol:	9.52
Dipole, Da:	4.74
IP(EA), eV:	-8.25(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[(2S)-2-[8-amino-1-(4-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-4-methoxybut-2-en-1-one

Drug info:

PubChemData

Smile

C=CS(=O)(=O)N1CCC[C@H]1C2=NC(=C3N2C=CN=C3N)C4=CC=C(C=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations