Geometry & MOs

Info

ID:	185563
PubChem CID:	77314506
Reduced:	SO2N5C22H25 (1)
Stoich.:	AB2C5D22E25 (1)
Weight, g/mol:	393.198717
ΔH_f, kcal/mol:	-0.54
Dipole, Da:	2.48
IP(EA), eV:	-7.76(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[amino-(4-phenyl-3H-1,3-thiazol-2-ylidene)methyl]-N-(cyclohexylmethyl)-5-methylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=CN=C(N=C1C(=C2NC(=CS2)C3=CC=CC=C3)N)N4CCC5(CC4)OCCO5

DOS

IR

Vibrations