Geometry & MOs

Info

ID:	443643
PubChem CID:	135259639
Reduced:	BrSO3H9C14 (1)
Stoich.:	ABC3D9E14 (1)
Weight, g/mol:	421.098394
ΔH_f, kcal/mol:	-46.74
Dipole, Da:	4.48
IP(EA), eV:	-9.3(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

thiophen-2-ylmethyl 2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]benzoate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC=C(S3)Br

DOS

IR

Vibrations