Geometry & MOs

Info

ID:	218226
PubChem CID:	85089056
Reduced:	SF2N2O5C19H34 (1)
Stoich.:	AB2C2D5E19F34 (1)
Weight, g/mol:	440.122835
ΔH_f, kcal/mol:	-369.49
Dipole, Da:	3.09
IP(EA), eV:	-9.12(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[[C-benzylsulfanyl-N-(2,6-dimethylanilino)carbonimidoyl]sulfanylmethyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)C(C1C(C(C(C(O1)SC)O)O)O)NC(=O)C2CC(CCN2)CCC(F)F

DOS

IR

Vibrations