Geometry & MOs

Info

ID:	154986
PubChem CID:	56314546
Reduced:	SO3N5C26H31 (1)
Stoich.:	AB3C5D26E31 (1)
Weight, g/mol:	411.118753
ΔH_f, kcal/mol:	-70.34
Dipole, Da:	5.49
IP(EA), eV:	-8.48(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCN1C2=C(C(=CC(=N2)C3CC3)C(=O)NC4=C(C=C(C=C4)CN5CCSCC5)C)C(=O)NC1=O

DOS

IR

Vibrations