Geometry & MOs

Info

ID:

188177

PubChem CID:

77678610

Reduced:

O9C17H18 (1)

Stoich.:

A9B17C18 (1)

Weight, g/mol:

688.399999

ΔHf, kcal/mol:

-315.18

Dipole, Da:

3.59

IP(EA), eV:

 -9.04(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[6-[2-[3-(4-fluorophenyl)-5-[1-(5-methylpyrazolidin-3-yl)ethylcarbamoyl]-4-phenyl-1-propan-2-ylpyrrol-2-yl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate

Drug info:

PubChemData

Smile

CC=CC1=C(C(=C(C=C1)O)OC)C(=O)OC2=C(C(=O)OC2C(CO)O)O

DOS

IR

Vibrations