Geometry & MOs

Info

ID:

194722

PubChem CID:

78581304

Reduced:

ClS2N3O6H28C31 (1)

Stoich.:

AB2C3D6E28F31 (1)

Weight, g/mol:

637.110806

ΔHf, kcal/mol:

-178.71

Dipole, Da:

5.84

IP(EA), eV:

 -8.93(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(9S)-14-(4-chlorophenyl)-9-[2-(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

C1COCCN1C(=O)COC2=CC=CC(=C2)[C@@H]3C4C5CC(C4SC6=C3SC(=O)N6)C7C5C(=O)N(C7=O)C8=CC=C(C=C8)Cl

DOS

IR

Vibrations