Geometry & MOs

Info

ID:	221664
PubChem CID:	85285856
Reduced:	NO8C33H39 (1)
Stoich.:	AB8C33D39 (1)
Weight, g/mol:	577.203528
ΔH_f, kcal/mol:	-282.59
Dipole, Da:	1.22
IP(EA), eV:	-9.49(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9H-fluoren-9-ylmethyl N-[7-carbamoyl-5-[(2,5-dimethylphenyl)methyl]-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl]carbamate

Drug info:

PubChemData

Smile

C1C2C(C(C(C(O2)OCCCCCNC(=O)OCC3=CC=CC=C3)O)OCC4=CC=CC=C4)OC(O1)C5=CC=CC=C5

DOS

IR

Vibrations