Geometry & MOs

Info

ID:	49823
PubChem CID:	11533918
Reduced:	SCl2O3N4C25H30 (1)
Stoich.:	AB2C3D4E25F30 (1)
Weight, g/mol:	537.195837
ΔH_f, kcal/mol:	-53.3
Dipole, Da:	7.38
IP(EA), eV:	-9.2(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluorophenyl)-1-propan-2-yl-4-[2-[(4-pyrazin-2-ylsulfonylcyclohexyl)amino]pyrimidin-4-yl]imidazol-2-one

Drug info:

PubChemData

Smile

CN(CCCC(=O)N(CCC1=CC=C(C=C1)C2=NCCN2)C3CC3)S(=O)(=O)C4=C(C(=CC=C4)Cl)Cl

DOS

IR

Vibrations