Geometry & MOs

Info

ID:

194721

PubChem CID:

78580790

Reduced:

S2N3O6H27C28 (1)

Stoich.:

A2B3C6D27E28 (1)

Weight, g/mol:

637.110806

ΔHf, kcal/mol:

-175.69

Dipole, Da:

2.15

IP(EA), eV:

 -8.67(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(9S)-14-(4-chlorophenyl)-9-[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3,7-dithia-5,14-diazapentacyclo[9.5.1.02,10.04,8.012,16]heptadec-4(8)-ene-6,13,15-trione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(=O)C3[C@H](C4=C(NC(=O)S4)SC3C2=O)C5=CC(=CC=C5)OCC(=O)N6CCCCC6

DOS

IR

Vibrations