Geometry & MOs

Info

ID:

421097

PubChem CID:

135115379

Reduced:

NOC6H7 (4)

Stoich.:

ABC6D7 (4)

Weight, g/mol:

732.395896

ΔHf, kcal/mol:

-109.08

Dipole, Da:

2.67

IP(EA), eV:

 -9.6(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,5S,8S)-5-[(4-methoxyphenyl)methyl]-7,8-dimethyl-2-(2-methylpropyl)-14-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butanoyl]-1,4,7,10,14-pentazacyclooctadecane-3,6,9,18-tetrone

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=N1)CN(C2=O)C3CCCC3)C(=O)N[C@@H]4COC[C@H]4CC5=CC=NC=C5

DOS

IR

Vibrations