Geometry & MOs

Info

ID:	56471
PubChem CID:	17435770
Reduced:	SF2N3O3C17H19 (1)
Stoich.:	AB2C3D3E17F19 (1)
Weight, g/mol:	408.208279
ΔH_f, kcal/mol:	-179.96
Dipole, Da:	3.34
IP(EA), eV:	-9.04(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(azepan-1-ylsulfonyl)-N-(cyclohexylmethyl)-2-methoxybenzamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)OCC2=NC=CN2C(F)F

DOS

IR

Vibrations