Geometry & MOs

Info

ID:	193330
PubChem CID:	78376325
Reduced:	BrO2N4C20H23 (1)
Stoich.:	AB2C4D20E23 (1)
Weight, g/mol:	275.979337
ΔH_f, kcal/mol:	12.79
Dipole, Da:	7.97
IP(EA), eV:	-8.9(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

potassium;4-oxo-5,6,7,8-tetrahydro-4aH-[1]benzothiolo[2,3-d]pyrimidine-2-thiolate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2CC(NN2)C(=O)NNC(=C)C3=CC=C(C=C3)Br

DOS

IR

Vibrations