Geometry & MOs

Info

ID:

418088

PubChem CID:

135103498

Reduced:

FSN2O4C14H19 (1)

Stoich.:

ABC2D4E14F19 (1)

Weight, g/mol:

627.338047

ΔHf, kcal/mol:

-192.99

Dipole, Da:

7.05

IP(EA), eV:

 -9.79(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[(5S,8S,11R,14S)-8-[(4-methoxyphenyl)methyl]-11-methyl-5-(2-methylpropyl)-3,6,9,12-tetraoxo-14-propan-2-yl-1,4,7,10,13-pentazacyclopentadec-1-yl]methyl]-1H-pyrazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations