Geometry & MOs

Info

ID:	440629
PubChem CID:	135230645
Reduced:	FO6N8C28H35 (1)
Stoich.:	AB6C8D28E35 (1)
Weight, g/mol:	471.238273
ΔH_f, kcal/mol:	-172.83
Dipole, Da:	7.75
IP(EA), eV:	-8.91(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4R,5S)-2-ethyl-5-phenyl-1,2-oxazolidin-4-yl]-3-[4-methyl-5-(1-methylpyrazol-4-yl)-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2=CC(=C(N=C2)OC)C(=O)NC3CCOCC3)NC(=O)N[C@@H]4CN(O[C@H]4C5=CC(=NC=C5)F)CCOC

DOS

IR

Vibrations