Geometry & MOs

Info

ID:

398872

PubChem CID:

135035942

Reduced:

SN2O7C23H30 (1)

Stoich.:

AB2C7D23E30 (1)

Weight, g/mol:

1855.801508

ΔHf, kcal/mol:

-286.24

Dipole, Da:

6.82

IP(EA), eV:

 -9.87(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-(3,5-dimethylphenyl)phenyl]-6-[2-[4-(3,5-dimethylphenyl)phenyl]-20-[2-[4-(3,5-dimethylphenyl)phenyl]-20-[2-[4-(3,5-dimethylphenyl)phenyl]-20-methyl-6-pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,10,13,15,17(22),18,20-undecaenyl]-6-pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,10,13,15,17(22),18,20-undecaenyl]-6-pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4(9),5,7,10,12,15,17(22),18,20-undecaenyl]-20-methylpentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,10,13,15,17(22),18,20-undecaene

Drug info:

PubChemData

Smile

CC[C@]1([C@@H]2[C@@H](C(=O)N3CCC[C@]3([C@H]2S(=O)(=O)C4=CC=CC=C4)O)C(=O)O1)C(=O)N(CC)CC

DOS

IR

Vibrations