Geometry & MOs

Info

ID:	151690
PubChem CID:	56261143
Reduced:	FN2O4C19H21 (1)
Stoich.:	AB2C4D19E21 (1)
Weight, g/mol:	381.125946
ΔH_f, kcal/mol:	-176.42
Dipole, Da:	3.66
IP(EA), eV:	-8.84(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[2-[(2-phenylacetyl)amino]ethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C(=O)NCCNC(=O)CC2=CC(=CC=C2)F)OC

DOS

IR

Vibrations