Geometry & MOs

Info

ID:	342157
PubChem CID:	127264870
Reduced:	SO2N4H12C16 (1)
Stoich.:	AB2C4D12E16 (1)
Weight, g/mol:	299.082744
ΔH_f, kcal/mol:	52.01
Dipole, Da:	11.99
IP(EA), eV:	-9.45(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[2-(5-nitrofuran-2-yl)ethenylsulfanyl]propanoate

Drug info:

PubChemData

Smile

CC1=C(C(=O)N=C(N1)C(=CC2=CN=C(S2)C3=CC=CO3)C)C#N

DOS

IR

Vibrations