Geometry & MOs

Info

ID:	188653
PubChem CID:	77748504
Reduced:	Cl2S2N4O5C28H32 (1)
Stoich.:	A2B2C4D5E28F32 (1)
Weight, g/mol:	478.118772
ΔH_f, kcal/mol:	-135.42
Dipole, Da:	13.04
IP(EA), eV:	-8.82(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-nitrophenyl) 4-(3,4-difluorophenyl)-5-(oxan-2-yloxymethyl)-2-oxo-1,3-oxazolidine-3-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=CN=C(N=C2)SCC(=O)NC(CC3CC(CN3)CC4=CC(=C(C=C4)Cl)Cl)S(=O)(=O)C)OC

DOS

IR

Vibrations