Geometry & MOs

Info

ID:	245193
PubChem CID:	99437851
Reduced:	SO2N3C20H25 (1)
Stoich.:	AB2C3D20E25 (1)
Weight, g/mol:	417.125946
ΔH_f, kcal/mol:	-55.82
Dipole, Da:	6.77
IP(EA), eV:	-8.92(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-benzyl-1,3-thiazol-2-ylidene)-2-(6-methyl-4-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N=C1N(C=CS1)CC2=CC=CC=C2)NC(=O)C3CCCCC3

DOS

IR

Vibrations