Geometry & MOs

Info

ID:	342515
PubChem CID:	127265670
Reduced:	ON3C7H9 (2)
Stoich.:	AB3C7D9 (2)
Weight, g/mol:	306.140199
ΔH_f, kcal/mol:	-22.89
Dipole, Da:	2.07
IP(EA), eV:	-9.18(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(oxolan-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN=C(N=C1C)NCCNC2=NC=CC=N2

DOS

IR

Vibrations