Geometry & MOs

Info

ID:	173582
PubChem CID:	75656966
Reduced:	FSN2O2C16H20 (1)
Stoich.:	ABC2D2E16F20 (1)
Weight, g/mol:	456.122932
ΔH_f, kcal/mol:	-62.25
Dipole, Da:	4.47
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.120088
Charge, e:	-1

Chem-info

IUPAC name:

[6-(2,5-dimethylphenyl)sulfonyliminocyclohexa-2,4-dien-1-ylidene]-[1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]oxymethanolate

Drug info:

PubChemData

Smile

C[NH+](C)C(CNS(=O)(=O)C1=CC=CC=C1)C2=CC=C(C=C2)F

DOS

IR

Vibrations