Geometry & MOs

Info

ID:	36359
PubChem CID:	8002301
Reduced:	SN3O3C21H23 (1)
Stoich.:	AB3C3D21E23 (1)
Weight, g/mol:	408.107854
ΔH_f, kcal/mol:	-13.05
Dipole, Da:	9.29
IP(EA), eV:	-8.6(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-7-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C2=NN=C(O2)SCC(=O)C3=C(N(C(=C3)C)C4CC4)C

DOS

IR

Vibrations