Geometry & MOs

Info

ID:

398630

PubChem CID:

135034435

Reduced:

O3C17H22 (1)

Stoich.:

A3B17C22 (1)

Weight, g/mol:

1132.309058

ΔHf, kcal/mol:

-127.96

Dipole, Da:

4.21

IP(EA), eV:

 -9.0(0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[(16Z)-17-(3-ethoxy-3-oxoprop-1-en-2-yl)-2,6,14,18-tetrakis-(4-methylphenyl)sulfonyl-2,6,14,18-tetrazatricyclo[18.4.0.08,13]tetracosa-1(24),4,8,10,12,16,20,22-octaen-5-yl]prop-2-enoate

Drug info:

PubChemData

Smile

CC(=C)[C@@H]1CCC2=C([C@@]1(C)CCC(=O)O)C=CC(=C2)O

DOS

IR

Vibrations