Geometry & MOs

Info

ID:

420709

PubChem CID:

135114689

Reduced:

SO3N5C20H33 (1)

Stoich.:

AB3C5D20E33 (1)

Weight, g/mol:

614.287113

ΔHf, kcal/mol:

-116.25

Dipole, Da:

5.3

IP(EA), eV:

 -8.79(0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5S)-11-[(2-chloro-5-methoxy-4-prop-2-enoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl]-4,5-dimethyl-1,4,7,11-tetrazacyclopentadecane-3,6,15-trione

Drug info:

PubChemData

Smile

CCC1=CC(=NC(=N1)N2CCOCC2)NC3CCN(CC3)C4CCS(=O)(=O)CC4

DOS

IR

Vibrations