Geometry & MOs

Info

ID:	414122
PubChem CID:	135087077
Reduced:	ClON2C15H15 (1)
Stoich.:	ABC2D15E15 (1)
Weight, g/mol:	297.08235
ΔH_f, kcal/mol:	10.34
Dipole, Da:	2.22
IP(EA), eV:	-9.42(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methoxyphenyl)-5-methyl-1,5-benzothiazepin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=NN1C(=O)/C(=C/C2=CC=C(C=C2)Cl)/C)C

DOS

IR

Vibrations