Geometry & MOs

Info

ID:	126151
PubChem CID:	50953348
Reduced:	N3O5C20H25 (1)
Stoich.:	A3B5C20D25 (1)
Weight, g/mol:	320.130697
ΔH_f, kcal/mol:	-180.84
Dipole, Da:	1.01
IP(EA), eV:	-8.95(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[2-(6-methyl-4-oxo-1H-pyrimidin-2-yl)ethyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)C(=O)CN2C3=C(C=CC(=C3)C(=O)O)N(C2=O)CC4CC4

DOS

IR

Vibrations