Geometry & MOs

Info

ID:	440410
PubChem CID:	135230387
Reduced:	O2F5N7H24C26 (1)
Stoich.:	A2B5C7D24E26 (1)
Weight, g/mol:	471.208196
ΔH_f, kcal/mol:	-172.85
Dipole, Da:	6.58
IP(EA), eV:	-8.86(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN(N=C2)C)C3=CC=CC=C3)NC(=O)N[C@@H]4CN(O[C@H]4C5=CC(=C(C=C5)F)F)CC(F)(F)F

DOS

IR

Vibrations