Geometry & MOs

Info

ID:	236952
PubChem CID:	92716386
Reduced:	ClN2S2O4C17H17 (1)
Stoich.:	AB2C2D4E17F17 (1)
Weight, g/mol:	393.114713
ΔH_f, kcal/mol:	-123.25
Dipole, Da:	2.58
IP(EA), eV:	-8.79(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6-yl)acetamide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)C[C@H]1NC(=O)C2=CC=C(S2)N3CCOC4=C3C=C(C=C4)Cl

DOS

IR

Vibrations