Geometry & MOs

Info

ID:

395963

PubChem CID:

135027033

Reduced:

N2O2H32C33 (1)

Stoich.:

A2B2C32D33 (1)

Weight, g/mol:

612.25456

ΔHf, kcal/mol:

7.77

Dipole, Da:

4.54

IP(EA), eV:

 -8.49(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-[2-[3-(benzenesulfonyl)propyl]-4-methoxyphenyl]-2-ethenyl-4-methoxyphenyl]-1-ethenyl-4-methoxy-3-propan-2-yloxybenzene

Drug info:

PubChemData

Smile

CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](C3=C4C=C(C=CC4=NC=C3)O)OC5=CC6=CC=CC=C6C7=CC=CC=C75

DOS

IR

Vibrations