Geometry & MOs

Info

ID:	66811
PubChem CID:	46505309
Reduced:	O2S2N4H12C13 (1)
Stoich.:	A2B2C4D12E13 (1)
Weight, g/mol:	392.061297
ΔH_f, kcal/mol:	38.29
Dipole, Da:	5.06
IP(EA), eV:	-8.77(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-6-[(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-3-ethylsulfanyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

CCSC1=NSC2=NC(=O)/C(=C\C3=CC=C(O3)C)/C(=N)N21

DOS

IR

Vibrations