Geometry & MOs

Info

ID:	351423
PubChem CID:	127280311
Reduced:	SN3O3C18H27 (1)
Stoich.:	AB3C3D18E27 (1)
Weight, g/mol:	333.151098
ΔH_f, kcal/mol:	-115.31
Dipole, Da:	8.22
IP(EA), eV:	-8.64(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CCN1CCCC1)C(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C

DOS

IR

Vibrations