Geometry & MOs

Info

ID:	362118
PubChem CID:	127305800
Reduced:	N3O3C20H25 (1)
Stoich.:	A3B3C20D25 (1)
Weight, g/mol:	387.161663
ΔH_f, kcal/mol:	-94.2
Dipole, Da:	7.91
IP(EA), eV:	-9.36(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[3-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2CCCN(C2)C(=O)CCC3=NC4=CC=CC=C4O3

DOS

IR

Vibrations