Geometry & MOs

Info

ID:	436538
PubChem CID:	135205062
Reduced:	N3O4F5H22C28 (1)
Stoich.:	A3B4C5D22E28 (1)
Weight, g/mol:	475.98817
ΔH_f, kcal/mol:	-319.97
Dipole, Da:	3.71
IP(EA), eV:	-9.58(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3R,4R)-3-(1,3-dibromo-8-oxo-7H-imidazo[1,5-a]pyrazin-6-yl)-4-methylpyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(F)(F)F)N(CC1=CC=C(C=C1)F)C(=O)CN2CO[C@@]3(C2=O)C(=O)CC4=C3C=CC(=C4)C5=C(C=CC=N5)F

DOS

IR

Vibrations