Geometry & MOs

Info

ID:	378603
PubChem CID:	134224695
Reduced:	ClFO3N4C20H20 (1)
Stoich.:	ABC3D4E20F20 (1)
Weight, g/mol:	290.121275
ΔH_f, kcal/mol:	-98.81
Dipole, Da:	6.12
IP(EA), eV:	-9.25(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-[4-[(4-fluoro-5,5-dimethyl-4H-1,2-oxazol-3-yl)sulfinyl]-3-iminobutan-2-ylidene]amino]-N-methylmethanamine

Drug info:

PubChemData

Smile

COCCNC1=NC=CC(=N1)C2=CC(=O)N(C=C2)[C@H](CO)C3=CC(=C(C=C3)Cl)F

DOS

IR

Vibrations