Geometry & MOs

Info

ID:	34360
PubChem CID:	7890919
Reduced:	BrSN2O4H13C15 (1)
Stoich.:	ABC2D4E13F15 (1)
Weight, g/mol:	387.077658
ΔH_f, kcal/mol:	-93.56
Dipole, Da:	2.81
IP(EA), eV:	-9.37(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 2-thiophen-2-ylacetate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NNC(=O)COC(=O)CC2=CC=CS2)Br

DOS

IR

Vibrations