Geometry & MOs

Info

ID:

446503

PubChem CID:

135275529

Reduced:

NH27C36 (2)

Stoich.:

AB27C36 (2)

Weight, g/mol:

483.9554

ΔHf, kcal/mol:

287.49

Dipole, Da:

1.26

IP(EA), eV:

 -7.82(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-(difluoromethoxy)-8-(4-methoxyphenyl)quinoxalin-6-yl]ethynyl thiohypoiodite

Drug info:

PubChemData

Smile

CC1=C(C(C2=C1C=CC(=C2)N(C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CC=CC=C5)C6=CC=C(C=C6)C7=CC8=C(C=C7)N(C9=CC=CC=C98)C1=CC=CC=C1)(C)C)/C=C(\C=C)/C1=CC=CC2=C1C1=CC=CC=C1C=C2

DOS

IR

Vibrations