Geometry & MOs

Info

ID:	342875
PubChem CID:	127266038
Reduced:	OSF3N4C13H13 (1)
Stoich.:	ABC3D4E13F13 (1)
Weight, g/mol:	295.135448
ΔH_f, kcal/mol:	-153.59
Dipole, Da:	5.56
IP(EA), eV:	-9.36(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,7-dimethyl-N-(6-methylpyridin-2-yl)-1-oxo-1,4-thiazepane-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC(=O)NC(C2=NC(=CS2)C)C(F)(F)F

DOS

IR

Vibrations