Geometry & MOs

Info

ID:	361479
PubChem CID:	127303612
Reduced:	SN3O3C18H25 (1)
Stoich.:	AB3C3D18E25 (1)
Weight, g/mol:	390.136176
ΔH_f, kcal/mol:	-124.33
Dipole, Da:	6.61
IP(EA), eV:	-9.09(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1CCCN1C(=O)CNC(=O)C2=CC3=C(S2)CCCCC3

DOS

IR

Vibrations