Geometry & MOs

Info

ID:	8635
PubChem CID:	79749
Reduced:	NOSH11C15 (1)
Stoich.:	ABCD11E15 (1)
Weight, g/mol:	253.056135
ΔH_f, kcal/mol:	27.19
Dipole, Da:	4.12
IP(EA), eV:	-8.89(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-5H-1,5-benzothiazepin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=O)NC3=CC=CC=C3S2

DOS

IR

Vibrations