Geometry & MOs

Info

ID:	426086
PubChem CID:	135136481
Reduced:	NO2C15H29 (1)
Stoich.:	AB2C15D29 (1)
Weight, g/mol:	265.038434
ΔH_f, kcal/mol:	-148.85
Dipole, Da:	4.69
IP(EA), eV:	-9.62(1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(trifluoromethyl)-2,3,4,5-tetrahydro-1lambda6,2-benzothiazepine 1,1-dioxide

Drug info:

PubChemData

Smile

CC(C)C1(CCOC(C1)CC(C)CCC(=O)N)C

DOS

IR

Vibrations