Geometry & MOs

Info

ID:	314224
PubChem CID:	126620954
Reduced:	FSO3N6H25C26 (1)
Stoich.:	ABC3D6E25F26 (1)
Weight, g/mol:	187.139471
ΔH_f, kcal/mol:	-11.52
Dipole, Da:	2.25
IP(EA), eV:	-8.51(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,4,5,5-pentamethyl-1,4-thiazepane

Drug info:

PubChemData

Smile

C1COCCN1C2=NC(=NC3=C2OC4=C3C=C(C=N4)CN5CCS(=O)CC5)C6=C(C=CC7=C6C=CN7)F

DOS

IR

Vibrations