Geometry & MOs

Info

ID:	437504
PubChem CID:	135226429
Reduced:	F2O3N5C24H27 (1)
Stoich.:	A2B3C5D24E27 (1)
Weight, g/mol:	501.218761
ΔH_f, kcal/mol:	-103.7
Dipole, Da:	6.43
IP(EA), eV:	-9.0(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-(5-ethoxy-4-methyl-2-phenylpyrazol-3-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(C=C4)F)F)CCOC

DOS

IR

Vibrations