Geometry & MOs

Info

ID:

418960

PubChem CID:

135107223

Reduced:

O2N3C18H25 (1)

Stoich.:

A2B3C18D25 (1)

Weight, g/mol:

670.34386

ΔHf, kcal/mol:

-67.9

Dipole, Da:

4.15

IP(EA), eV:

 -9.19(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(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]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)C(=O)N(CCO)CC2=C(NC=N2)C

DOS

IR

Vibrations