Geometry & MOs

Info

ID:	82944
PubChem CID:	49856857
Reduced:	FON5C22H30 (1)
Stoich.:	ABC5D22E30 (1)
Weight, g/mol:	473.202717
ΔH_f, kcal/mol:	-59.74
Dipole, Da:	2.7
IP(EA), eV:	-8.72(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-1-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-phenylpropan-1-one

Drug info:

PubChemData

Smile

CC(C)(C(=O)N1CCN2C(=NC(=C2NC3=CC=C(C=C3)F)C4CCCCC4)C1)N

DOS

IR

Vibrations