Geometry & MOs

Info

ID:	443656
PubChem CID:	135259674
Reduced:	BrSO2H7C13 (1)
Stoich.:	ABC2D7E13 (1)
Weight, g/mol:	379.141973
ΔH_f, kcal/mol:	-2.18
Dipole, Da:	5.05
IP(EA), eV:	-9.6(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl] (E)-pent-3-enoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC(=O)O2)C3=CC=C(S3)Br

DOS

IR

Vibrations