Geometry & MOs

Info

ID:	208959
PubChem CID:	80607833
Reduced:	SN6C10H16 (1)
Stoich.:	AB6C10D16 (1)
Weight, g/mol:	362.96508
ΔH_f, kcal/mol:	78.34
Dipole, Da:	3.59
IP(EA), eV:	-9.2(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-iodo-6-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCC1=NN(C(=N1)CC)CC2=NN=C(S2)NC

DOS

IR

Vibrations