Geometry & MOs

Info

ID:	425591
PubChem CID:	135126832
Reduced:	NSO3C12H12 (2)
Stoich.:	ABC3D12E12 (2)
Weight, g/mol:	376.099397
ΔH_f, kcal/mol:	-169.36
Dipole, Da:	8.19
IP(EA), eV:	-9.22(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6E)-6-benzylidene-5-imino-2-[(2-methylphenoxy)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

C1CC=CC=C(C1)C(/C=C/C=C/2\C(=O)N(C(=S)S2)CCC(=O)NC3=CC(=C(C=C3)C(=O)O)O)O

DOS

IR

Vibrations