Geometry & MOs

Info

ID:	427124
PubChem CID:	135155592
Reduced:	ClN2O2C20H27 (1)
Stoich.:	AB2C2D20E27 (1)
Weight, g/mol:	500.233602
ΔH_f, kcal/mol:	-62.11
Dipole, Da:	4.6
IP(EA), eV:	-8.46(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-2-amino-3-[[3-(5,7-dihydropyrrolo[3,4-b]pyrazine-6-carbonyl)-5-fluorophenyl]methyl]-5-(3-methylbutyl)-5-phenylimidazol-4-one

Drug info:

PubChemData

Smile

CCN(CC)CCCOC1=C(C=C2C3=C(CCC3)C(=NC2=C1)Cl)OC

DOS

IR

Vibrations