Geometry & MOs

Info

ID:	435372
PubChem CID:	135191308
Reduced:	O2F3N4C23H27 (1)
Stoich.:	A2B3C4D23E27 (1)
Weight, g/mol:	422.093643
ΔH_f, kcal/mol:	-200.37
Dipole, Da:	5.81
IP(EA), eV:	-9.18(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3,5-dihydroxycyclohexa-1,5-dien-1-yl)-5-phenyl-1,3-thiazol-2-yl]-3,4-dihydroxybenzamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=C(C1)NN=C2C(=O)N3C[C@H]4CC(C[C@H]4C3)C5CC=CC=C5C(F)(F)F

DOS

IR

Vibrations