Geometry & MOs

Info

ID:	30643
PubChem CID:	841613
Reduced:	OSN2C13H14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	286.052447
ΔH_f, kcal/mol:	-17.82
Dipole, Da:	2.68
IP(EA), eV:	-8.5(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=CSC(=C2C(=O)N)N)C

DOS

IR

Vibrations