Geometry & MOs

Info

ID:

89764

PubChem CID:

49964412

Reduced:

N5O10C32H47 (1)

Stoich.:

A5B10C32D47 (1)

Weight, g/mol:

471.139882

ΔHf, kcal/mol:

-470.36

Dipole, Da:

8.28

IP(EA), eV:

 -8.84(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-11-(2-phenylethyl)-4-thia-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,5-trien-8-one

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OC)NC(=O)CCNC(=O)C(C(C)(C)CO)O

DOS

IR

Vibrations