Geometry & MOs

Info

ID:

417248

PubChem CID:

135091791

Reduced:

OSN5C19H25 (1)

Stoich.:

ABC5D19E25 (1)

Weight, g/mol:

677.378849

ΔHf, kcal/mol:

-6.77

Dipole, Da:

4.59

IP(EA), eV:

 -8.72(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,5S,8S)-14-(3,4-dihydro-2H-chromene-6-carbonyl)-5-[(4-methoxyphenyl)methyl]-7,8-dimethyl-2-(2-methylpropyl)-1,4,7,10,14-pentazacyclooctadecane-3,6,9,18-tetrone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CSC2=NC(=CC(=N2)N3CCC(C3)CC(=O)NC)N

DOS

IR

Vibrations