Geometry & MOs

Info

ID:	355197
PubChem CID:	127288129
Reduced:	N3O3C17H27 (1)
Stoich.:	A3B3C17D27 (1)
Weight, g/mol:	289.060649
ΔH_f, kcal/mol:	-164.24
Dipole, Da:	7.43
IP(EA), eV:	-9.27(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-fluoro-3-methylphenyl)sulfonyl-1,4-thiazepane

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)CN2C(=O)C3(CCCCC3)N(C2=O)C

DOS

IR

Vibrations