Geometry & MOs

Info

ID:	435921
PubChem CID:	135192786
Reduced:	SO2N6C22H30 (1)
Stoich.:	AB2C6D22E30 (1)
Weight, g/mol:	410.259423
ΔH_f, kcal/mol:	48.92
Dipole, Da:	6.82
IP(EA), eV:	-8.05(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-cyclopropyl-1-[3-[4-(2-fluoroethyl)piperazin-1-yl]-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1N)C2=CN(C(=N2)C3CC3)C45CC(C4)(C5)N6CCN(CC6)S(=O)(=O)C

DOS

IR

Vibrations