Geometry & MOs

Info

ID:	437474
PubChem CID:	135226399
Reduced:	NOSC12H13 (1)
Stoich.:	ABCD12E13 (1)
Weight, g/mol:	607.235473
ΔH_f, kcal/mol:	11.52
Dipole, Da:	0.71
IP(EA), eV:	-9.18(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(fluoromethyl)-5-[5-[[(4R,5S)-5-(2-fluoropyridin-4-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]pyridine-2-carboxylate

Drug info:

PubChemData

Smile

CC1=NC(=CS1)COCC2=CC=CC=C2

DOS

IR

Vibrations