Geometry & MOs

Info

ID:	223578
PubChem CID:	85335264
Reduced:	ClOSN5C22H22 (1)
Stoich.:	ABCD5E22F22 (1)
Weight, g/mol:	440.160831
ΔH_f, kcal/mol:	49.3
Dipole, Da:	5.78
IP(EA), eV:	-8.88(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(azidomethyl)-3-[3-fluoro-4-[4-[3-(furan-2-yl)prop-2-enoyl]piperazin-1-yl]phenyl]-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

C1CNCCC1CNC2=C3C(=O)C=CN=C3C(C=C2)SC4=NC5=C(N4)C=C(C=C5)Cl

DOS

IR

Vibrations