Geometry & MOs

Info

ID:	66818
PubChem CID:	46505321
Reduced:	OSN2H9C10 (2)
Stoich.:	ABC2D9E10 (2)
Weight, g/mol:	454.076947
ΔH_f, kcal/mol:	61.34
Dipole, Da:	4.64
IP(EA), eV:	-8.8(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[(Z)-[5-imino-3-(2-methylpropylsulfanyl)-7-oxo-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl]furan-2-yl]benzoic acid

Drug info:

PubChemData

Smile

CC(C)CSC1=NSC2=NC(=O)/C(=C\C3=CC=C(O3)C4=CC=CC=C4)/C(=N)N21

DOS

IR

Vibrations