Geometry & MOs

Info

ID:	344257
PubChem CID:	127267433
Reduced:	N3O3C19H21 (1)
Stoich.:	A3B3C19D21 (1)
Weight, g/mol:	301.124883
ΔH_f, kcal/mol:	-22.38
Dipole, Da:	4.96
IP(EA), eV:	-8.76(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(3-methylimidazol-4-yl)ethanone

Drug info:

PubChemData

Smile

CN(C)CCN(CC1=CC=CO1)C(=O)C2=CN=C(O2)C3=CC=CC=C3

DOS

IR

Vibrations