Geometry & MOs

Info

ID:	440445
PubChem CID:	135230422
Reduced:	Cl2N3H9C11 (1)
Stoich.:	A2B3C9D11 (1)
Weight, g/mol:	522.275467
ΔH_f, kcal/mol:	43.76
Dipole, Da:	2.61
IP(EA), eV:	-8.72(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4R,5S)-2-ethyl-5-(4-fluorophenyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-2-phenyl-5-(piperidin-4-ylmethoxy)pyrazol-3-yl]urea

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)N)NC2=C(C=NC=C2Cl)Cl

DOS

IR

Vibrations