Geometry & MOs

Info

ID:	145795
PubChem CID:	53593735
Reduced:	SN3O3C16H25 (1)
Stoich.:	AB3C3D16E25 (1)
Weight, g/mol:	308.153621
ΔH_f, kcal/mol:	-127.76
Dipole, Da:	8.23
IP(EA), eV:	-9.19(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]azepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)NC)NC(=O)NC2CCCCCC2

DOS

IR

Vibrations