Geometry & MOs

Info

ID:	83909
PubChem CID:	49862377
Reduced:	F2O2N6C37H56 (1)
Stoich.:	A2B2C6D37E56 (1)
Weight, g/mol:	287.052861
ΔH_f, kcal/mol:	-176.57
Dipole, Da:	7.42
IP(EA), eV:	-8.51(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyano-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-fluorobenzamide

Drug info:

PubChemData

Smile

CC(C)N1C=C(C=N1)C(=O)N(CC(C2CCCCC2)N3CCN(CC3)C(=O)[C@@H]4CN(C[C@H]4C5=C(C=C(C=C5)F)F)C(C)(C)C)C(C)C

DOS

IR

Vibrations