Geometry & MOs

Info

ID:

232633

PubChem CID:

87576578

Reduced:

NSO5H19C26 (1)

Stoich.:

ABC5D19E26 (1)

Weight, g/mol:

414.299476

ΔHf, kcal/mol:

-104.07

Dipole, Da:

7.54

IP(EA), eV:

 -9.11(-1.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1Z,3aS,3bR,9aR,9bS,11aS)-1-hydrazinylidene-9a,11a-dimethyl-6-(2-morpholin-4-ylethyl)-2,3,3a,3b,4,8,9,9b,10,11-decahydroindeno[5,4-f]quinolin-7-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=C(/C2=CC=C(C=C2)OC3=CC=C(C=C3)/C=C/4\C(=O)NC(=O)S4)\C(=O)O

DOS

IR

Vibrations