Geometry & MOs

Info

ID:	415032
PubChem CID:	135088012
Reduced:	ON5C22H29 (1)
Stoich.:	AB5C22D29 (1)
Weight, g/mol:	386.098352
ΔH_f, kcal/mol:	-6.01
Dipole, Da:	5.96
IP(EA), eV:	-8.61(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N2CCCCC2)NCC3=CC=C(C=C3)C(=O)N4CCCC4

DOS

IR

Vibrations