Geometry & MOs

Info

ID:	435920
PubChem CID:	135192785
Reduced:	SO2N5C21H27 (1)
Stoich.:	AB2C5D21E27 (1)
Weight, g/mol:	442.215095
ΔH_f, kcal/mol:	49.24
Dipole, Da:	4.24
IP(EA), eV:	-8.23(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-cyclopropyl-1-[3-(4-methylsulfonylpiperazin-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)N6CCS(=O)(=O)CC6

DOS

IR

Vibrations