Geometry & MOs

Info

ID:	435286
PubChem CID:	135187740
Reduced:	NOC8H11 (2)
Stoich.:	ABC8D11 (2)
Weight, g/mol:	433.078407
ΔH_f, kcal/mol:	-62.94
Dipole, Da:	7.82
IP(EA), eV:	-9.7(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[[3-[(4-fluorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene]methyl]phenyl]benzoic acid

Drug info:

PubChemData

Smile

CC[C@@]12CN(CC[C@H]1C(C(=O)C(=C2)C#N)(C)C)C(=O)C

DOS

IR

Vibrations