Geometry & MOs

Info

ID:	191185
PubChem CID:	78116088
Reduced:	SO4N5C20H25 (1)
Stoich.:	AB4C5D20E25 (1)
Weight, g/mol:	427.167811
ΔH_f, kcal/mol:	-128.69
Dipole, Da:	4.93
IP(EA), eV:	-8.88(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3H-1,3-benzothiazol-2-ylidene)-6-[(2-hydroxycyclohexyl)amino]-2-morpholin-4-ylpyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)NC1=NC(=O)C(=C2NC3=CC=CC=C3S2)C(=N1)NC4CC(C(C4O)O)CO

DOS

IR

Vibrations