Geometry & MOs

Info

ID:	368314
PubChem CID:	127327907
Reduced:	SN2O2C15H28 (1)
Stoich.:	AB2C2D15E28 (1)
Weight, g/mol:	377.177313
ΔH_f, kcal/mol:	-126.21
Dipole, Da:	5.03
IP(EA), eV:	-8.36(0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)CC(CNC(=O)C2CCSCC2)O

DOS

IR

Vibrations