Geometry & MOs

Info

ID:	362171
PubChem CID:	127305892
Reduced:	O2N3C24H29 (1)
Stoich.:	A2B3C24D29 (1)
Weight, g/mol:	366.140199
ΔH_f, kcal/mol:	-62.04
Dipole, Da:	3.26
IP(EA), eV:	-9.04(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(C(C1)NC(=O)C2CCCN(C2)C(=O)NC3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations