Geometry & MOs

Info

ID:	413043
PubChem CID:	135085987
Reduced:	O3C11H16 (1)
Stoich.:	A3B11C16 (1)
Weight, g/mol:	335.05917
ΔH_f, kcal/mol:	-89.6
Dipole, Da:	2.92
IP(EA), eV:	-9.91(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-2-[4-(trifluoromethyl)phenyl]-1,5-benzothiazepin-4-one

Drug info:

PubChemData

Smile

CC1(OCC(CO1)(CC=O)CC#C)C

DOS

IR

Vibrations