Geometry & MOs

Info

ID:

222094

PubChem CID:

85293955

Reduced:

N2O2C17H17 (2)

Stoich.:

A2B2C17D17 (2)

Weight, g/mol:

570.206754

ΔHf, kcal/mol:

-76.26

Dipole, Da:

8.37

IP(EA), eV:

 -9.07(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-hydroxy-3-[[3-naphthalen-2-yl-2-[4-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)butanoylamino]propanoyl]amino]propyl]azanium;chloride

Drug info:

PubChemData

Smile

CC(C)N1CC(=CC2=CC=C(C=C2)C=C3CN(C(=O)N(C3=O)C4=CC=CC=C4)C(C)C)C(=O)N(C1=O)C5=CC=CC=C5

DOS

IR

Vibrations