Geometry & MOs

Info

ID:	244677
PubChem CID:	99376389
Reduced:	O2F4N5H17C20 (1)
Stoich.:	A2B4C5D17E20 (1)
Weight, g/mol:	408.161997
ΔH_f, kcal/mol:	-190.8
Dipole, Da:	3.84
IP(EA), eV:	-10.07(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]amino]-N-(pyridin-4-ylmethyl)propanamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1N2C(=C(C=N2)C(=O)NCCC(=O)NCC3=CC=NC=C3)C(F)(F)F)F

DOS

IR

Vibrations