Geometry & MOs

Info

ID:	447300
PubChem CID:	135281846
Reduced:	FSO3N4C28H35 (1)
Stoich.:	ABC3D4E28F35 (1)
Weight, g/mol:	295.106925
ΔH_f, kcal/mol:	-91.75
Dipole, Da:	4.74
IP(EA), eV:	-8.4(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(7-aminoimidazo[1,2-a]pyrimidin-2-yl)-2,4-dimethoxybenzonitrile

Drug info:

PubChemData

Smile

CC(C)(C)[S@@](=O)N[C@@](CCC1CC1)(C2=CC(=C(C=C2)F)NC(=O)[C@H]3C[C@H](CN3)O)C4=CC=CC(=C4)C#N

DOS

IR

Vibrations