Geometry & MOs

Info

ID:	413044
PubChem CID:	135085988
Reduced:	NOSF3H12C17 (1)
Stoich.:	ABCD3E12F17 (1)
Weight, g/mol:	297.08235
ΔH_f, kcal/mol:	-133.03
Dipole, Da:	5.12
IP(EA), eV:	-9.12(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxy-5-methyl-2-phenyl-1,5-benzothiazepin-4-one

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2SC(=CC1=O)C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations