Geometry & MOs

Info

ID:

164426

PubChem CID:

74398741

Reduced:

S2N5O5C25H31 (1)

Stoich.:

A2B5C5D25E31 (1)

Weight, g/mol:

951.384328

ΔHf, kcal/mol:

-98.2

Dipole, Da:

8.44

IP(EA), eV:

 -9.2(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N'-ethyl-6-[3-(2-hydroxyethoxy)phenyl]-5'-[2-(4-methoxyphenyl)ethynyl]-8-N-(4-morpholin-4-ylphenyl)-1,2'-dioxo-3,4-diphenylspiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-1',8-dicarboxamide

Drug info:

PubChemData

Smile

CCCCCCC(C(C1=CC=C(C=C1)CN2C=C(N=N2)COC3=CC4=C(C=C3)N=C(S4)S(=O)(=O)N)O)O

DOS

IR

Vibrations