Geometry & MOs

Info

ID:	49729
PubChem CID:	11533671
Reduced:	F3N3O4H18C28 (1)
Stoich.:	A3B3C4D18E28 (1)
Weight, g/mol:	517.259009
ΔH_f, kcal/mol:	-178.19
Dipole, Da:	4.98
IP(EA), eV:	-9.12(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N-[3-[8-(4-carbamimidoylanilino)imidazo[1,2-a]pyrazin-6-yl]-2-methylphenyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)/C(=N\NC3=CC=CC(=C3O)C4=CC(=CC=C4)C(=O)O)/C(=O)N2C5=CC=CC(=C5)C(F)(F)F

DOS

IR

Vibrations