Geometry & MOs

Info

ID:	227952
PubChem CID:	87563119
Reduced:	N5C15H19 (1)
Stoich.:	A5B15C19 (1)
Weight, g/mol:	414.11619
ΔH_f, kcal/mol:	105.62
Dipole, Da:	5.86
IP(EA), eV:	-7.75(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-(4-fluorophenyl)-1-[[4-methyl-2-(2-methylpyridin-4-yl)-1,3-thiazol-5-yl]amino]-3-oxopropan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CCCCCNC1=CC=CC2=N/C(=C\3/C=CNN3)/N=C21

DOS

IR

Vibrations