Geometry & MOs

Info

ID:	373907
PubChem CID:	131321191
Reduced:	FSO2H11C12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	211.083099
ΔH_f, kcal/mol:	-107.99
Dipole, Da:	4.66
IP(EA), eV:	-8.85(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-fluoro-8-methyl-2,3,4,5-tetrahydro-1-benzothiepin-4-amine

Drug info:

PubChemData

Smile

CCC1=C2C(=CSC2=C(C=C1)F)CC(=O)O

DOS

IR

Vibrations