Geometry & MOs

Info

ID:

412514

PubChem CID:

135085409

Reduced:

FN4O4C48H55 (1)

Stoich.:

AB4C4D48E55 (1)

Weight, g/mol:

376.098108

ΔHf, kcal/mol:

-29.44

Dipole, Da:

16.33

IP(EA), eV:

 -5.93(-1.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzene;carbanide;chlororuthenium(2+);ethane;[(2S)-2-hydroxypropyl]-propylazanide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=CN=C2C=C1)[C@H](C3CC4CC[N+]3(CC4C=C)CC5=C(C(=CC=C5)C[N+]67CCC(CC6[C@@H](C8=C9C=C(C=CC9=NC=C8)OC)O)C(C7)C=C)F)O

DOS

IR

Vibrations