Geometry & MOs

Info

ID:	195983
PubChem CID:	78759420
Reduced:	O2S2N5C20H25 (1)
Stoich.:	A2B2C5D20E25 (1)
Weight, g/mol:	280.056944
ΔH_f, kcal/mol:	7.3
Dipole, Da:	7.21
IP(EA), eV:	-8.91(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[(2-fluorophenyl)sulfanylmethyl]-2-methylfuran-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N(C2=NC(=CS2)CSC3=NN=CN3CCCOC)C(=O)C)C

DOS

IR

Vibrations