Geometry & MOs

Info

ID:	437399
PubChem CID:	135226208
Reduced:	NF2O2C13H17 (1)
Stoich.:	AB2C2D13E17 (1)
Weight, g/mol:	580.26096
ΔH_f, kcal/mol:	-133.28
Dipole, Da:	4.27
IP(EA), eV:	-9.18(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-4-methyl-2-phenylpyrazol-3-yl]-3-[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]urea

Drug info:

PubChemData

Smile

C[C@@H]1CN(O[C@H]1C2=CC(=C(C=C2)F)F)CCOC

DOS

IR

Vibrations