Geometry & MOs

Info

ID:	440517
PubChem CID:	135230503
Reduced:	F2O4H14C15 (1)
Stoich.:	A2B4C14D15 (1)
Weight, g/mol:	581.256209
ΔH_f, kcal/mol:	-211.38
Dipole, Da:	4.4
IP(EA), eV:	-9.33(-1.2)
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-(5,6-difluoropyridin-3-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]urea

Drug info:

PubChemData

Smile

COCCC1=CC(=C(O1)C2=CC(=C(C=C2)F)F)C(=O)OC

DOS

IR

Vibrations