Geometry & MOs

Info

ID:

324915

PubChem CID:

126678618

Reduced:

SN2O7C14H24 (1)

Stoich.:

AB2C7D14E24 (1)

Weight, g/mol:

653.2627

ΔHf, kcal/mol:

-310.17

Dipole, Da:

4.15

IP(EA), eV:

 -9.28(-0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,6R,9S,12R,13S)-12-butan-2-yl-9-[(but-3-enyldisulfanyl)methyl]-2-methyl-6-(2-methylsulfanylethyl)-13-phenylmethoxy-1-oxa-5,8,11-triazacyclopentadecane-4,7,10,15-tetrone

Drug info:

PubChemData

Smile

COC(=O)[C@@H](CO)NC(=O)CC(/C=C/CCS)OC(=O)C(CO)N

DOS

IR

Vibrations