Geometry & MOs

Info

ID:	128914
PubChem CID:	51063544
Reduced:	NSO5C17H17 (1)
Stoich.:	ABC5D17E17 (1)
Weight, g/mol:	345.121237
ΔH_f, kcal/mol:	-154.13
Dipole, Da:	3.85
IP(EA), eV:	-8.98(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 5-[[3-(5-methylfuran-2-yl)-3-oxopropyl]amino]benzene-1,3-dicarboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CC(=C1)NCCC(=O)C2=CC=CS2)C(=O)OC

DOS

IR

Vibrations