Geometry & MOs

Info

ID:

214663

PubChem CID:

85083369

Reduced:

ClN4O6C29H35 (1)

Stoich.:

AB4C6D29E35 (1)

Weight, g/mol:

570.206754

ΔHf, kcal/mol:

-186.42

Dipole, Da:

4.57

IP(EA), eV:

 -8.82(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-4-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)butanamide;hydrochloride

Drug info:

PubChemData

Smile

COC1C(C(OC(C1O)COCC2=CC=C(C=C2)Cl)OCC3=CC4=CC=CC=C4C=C3)NC(=O)CCN=C(N)N

DOS

IR

Vibrations