Geometry & MOs

Info

ID:	427135
PubChem CID:	135155671
Reduced:	ClN2O4C22H29 (1)
Stoich.:	AB2C4D22E29 (1)
Weight, g/mol:	548.19836
ΔH_f, kcal/mol:	-140.01
Dipole, Da:	6.62
IP(EA), eV:	-8.89(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[2-[[2-amino-4,4-bis(4-fluorophenyl)-5-oxoimidazol-1-yl]methyl]pyridine-4-carbonyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CCOC1(C2=C(CO1)C(=NC3=C2C=CC(=C3)OCCCN4CCCC4)Cl)OCC

DOS

IR

Vibrations