Geometry & MOs

Info

ID:	39420
PubChem CID:	8140729
Reduced:	F3N3O4C16H16 (1)
Stoich.:	A3B3C4D16E16 (1)
Weight, g/mol:	415.100205
ΔH_f, kcal/mol:	-290.77
Dipole, Da:	3.93
IP(EA), eV:	-10.0(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-fluorobenzamide

Drug info:

PubChemData

Smile

C1CCC2(CC1)C(=O)N(C(=O)N2)NC(=O)C3=CC=C(C=C3)OC(F)(F)F

DOS

IR

Vibrations