Geometry & MOs

Info

ID:	361944
PubChem CID:	127304940
Reduced:	ON3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	352.124549
ΔH_f, kcal/mol:	14.52
Dipole, Da:	5.11
IP(EA), eV:	-9.0(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1H-inden-1-ylmethyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)NN=C2C(=O)NCC3CCC4=CC=CC=C34

DOS

IR

Vibrations