Geometry & MOs

Info

ID:	430152
PubChem CID:	135170215
Reduced:	NSO4H15C22 (1)
Stoich.:	ABC4D15E22 (1)
Weight, g/mol:	423.126855
ΔH_f, kcal/mol:	-54.42
Dipole, Da:	8.52
IP(EA), eV:	-9.06(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-ethenylphenyl)-3-methyl-2-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,5-benzothiazepine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C2=O)C(S(=O)(=O)C4=CC=CC=C4N3)C5=CC(=CC=C5)O

DOS

IR

Vibrations