Geometry & MOs

Info

ID:	437506
PubChem CID:	135226431
Reduced:	F2O3N6C23H26 (1)
Stoich.:	A2B3C6D23E26 (1)
Weight, g/mol:	454.212867
ΔH_f, kcal/mol:	-92.82
Dipole, Da:	9.71
IP(EA), eV:	-8.99(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4,5-dimethyl-2-phenylpyrazol-3-yl)-3-[(4R,5S)-5-(2-fluoropyridin-4-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C)C2=CC=CC=C2)NC(=O)N[C@@H]3CN(O[C@H]3C4=CC(=C(N=C4)F)F)CCOC

DOS

IR

Vibrations