Geometry & MOs

Info

ID:

334434

PubChem CID:

127252986

Reduced:

SN3O9C27H27 (1)

Stoich.:

AB3C9D27E27 (1)

Weight, g/mol:

522.19032

ΔHf, kcal/mol:

-311.61

Dipole, Da:

7.3

IP(EA), eV:

 -9.34(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione

Drug info:

PubChemData

Smile

CC1=C(C(=C2C(=C1O)[C@@]3(C(=CC(=O)/C(=C(/C)\NC4=CC(=CC=C4)N(CC(=O)N)S(=O)(=O)C)/C3=O)O2)C)C(=O)C)O

DOS

IR

Vibrations