Geometry & MOs

Info

ID:	65948
PubChem CID:	46484674
Reduced:	F3N3O4C24H26 (1)
Stoich.:	A3B3C4D24E26 (1)
Weight, g/mol:	389.084555
ΔH_f, kcal/mol:	-298.0
Dipole, Da:	1.57
IP(EA), eV:	-8.85(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-fluoro-4-nitrophenoxy)acetamide

Drug info:

PubChemData

Smile

CC(C)C(C1=CC=C(C=C1)OC)NC(=O)CN2C(=O)C(NC2=O)(C)C3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations