Geometry & MOs

Info

ID:	30609
PubChem CID:	841568
Reduced:	O2N4H18C19 (1)
Stoich.:	A2B4C18D19 (1)
Weight, g/mol:	346.095141
ΔH_f, kcal/mol:	29.13
Dipole, Da:	3.63
IP(EA), eV:	-8.92(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2,6-difluorobenzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)OCC(=O)NN=CC2=NC3=CC=CC=C3N=C2)C

DOS

IR

Vibrations