Geometry & MOs

Info

ID:

180415

PubChem CID:

76629026

Reduced:

SN3O4C11H13 (4)

Stoich.:

AB3C4D11E13 (4)

Weight, g/mol:

927.583546

ΔHf, kcal/mol:

-385.23

Dipole, Da:

10.87

IP(EA), eV:

 -8.67(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-[10-cyano-4-[4-[[4-(4-pentylcyclohexyl)phenoxy]methyl]phenyl]undec-7-en-2-yl]phenyl]methoxy]-5-(4-pentylcyclohexyl)benzenesulfonic acid

Drug info:

PubChemData

Smile

CC(CN(CC(C)O)C1=NC(=NC(=N1)NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)NC4=NC(=NC(=N4)NC5=CC=C(C=C5)OS(=O)O)N(CC(C)O)CC(C)O)S(=O)(=O)O)SOOO)NC6=CC=C(C=C6)S(=O)(=O)O)O

DOS

IR

Vibrations