Geometry & MOs

Info

ID:

16187

PubChem CID:

461076

Reduced:

NO2C15H19 (3)

Stoich.:

AB2C15D19 (3)

Weight, g/mol:

735.424737

ΔHf, kcal/mol:

-217.44

Dipole, Da:

10.26

IP(EA), eV:

 -8.96(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[2-[(1-ethylcyclopentyl)-(2-hydroxyethyl)carbamoyl]phenyl]-2-hydroxybutyl]-N-(2-hydroxyethyl)-5-methyl-N-[2-[4-(pyridin-3-ylmethoxy)phenyl]propan-2-yl]benzamide

Drug info:

PubChemData

Smile

CCC1(CCCC1)N(CCO)C(=O)C2=CC=CC=C2CCC(CC3=C(C=C(C=C3)C)C(=O)N(CCO)C(C)(C)C4=CC=C(C=C4)OCC5=CN=CC=C5)O

DOS

IR

Vibrations