Geometry & MOs

Info

ID:	68050
PubChem CID:	46507665
Reduced:	NSO2H9C11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	312.94083
ΔH_f, kcal/mol:	-37.43
Dipole, Da:	4.97
IP(EA), eV:	-8.83(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-8-methoxy-2-oxochromene-3-carbothioamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=O)C(=C2)C(=S)N

DOS

IR

Vibrations