Geometry & MOs

Info

ID:	38782
PubChem CID:	8137920
Reduced:	NOC5H6 (4)
Stoich.:	ABC5D6 (4)
Weight, g/mol:	362.093643
ΔH_f, kcal/mol:	-49.37
Dipole, Da:	5.31
IP(EA), eV:	-8.99(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C(=O)NCCCCCC2=NC(=NO2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations