Geometry & MOs

Info

ID:	68931
PubChem CID:	46512538
Reduced:	O3F4N5H19C21 (1)
Stoich.:	A3B4C5D19E21 (1)
Weight, g/mol:	338.120132
ΔH_f, kcal/mol:	-135.6
Dipole, Da:	4.89
IP(EA), eV:	-9.57(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]phenyl]butanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NOC(=N2)CN3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-])F

DOS

IR

Vibrations