Geometry & MOs

Info

ID:	46707
PubChem CID:	10526463
Reduced:	N2O3C10H17 (2)
Stoich.:	A2B3C10D17 (2)
Weight, g/mol:	426.197714
ΔH_f, kcal/mol:	-258.91
Dipole, Da:	3.56
IP(EA), eV:	-9.09(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R)-8-methyl-5-[2-(methylamino)ethyl]-2-(4-methylphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] 2-methylpropanoate

Drug info:

PubChemData

Smile

CCCCOC(=O)N[C@@H](CNC(=O)CC1CC(=NO1)CCC2CCNCC2)C(=O)O

DOS

IR

Vibrations