Geometry & MOs

Info

ID:	143246
PubChem CID:	53171494
Reduced:	ClS2N3O3C20H20 (1)
Stoich.:	AB2C3D3E20F20 (1)
Weight, g/mol:	362.185509
ΔH_f, kcal/mol:	-27.62
Dipole, Da:	4.59
IP(EA), eV:	-9.58(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(6-anilinopyrimidin-4-yl)imidazol-4-yl]-(4-methylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(S(=O)(=O)N=C1N2CCCN(CC2)C(=O)C3=CC=C(S3)Cl)C4=CC=CC=C4

DOS

IR

Vibrations