Geometry & MOs

Info

ID:

420524

PubChem CID:

135113617

Reduced:

SN2O3C22H26 (1)

Stoich.:

AB2C3D22E26 (1)

Weight, g/mol:

602.234511

ΔHf, kcal/mol:

-71.39

Dipole, Da:

4.55

IP(EA), eV:

 -9.2(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6S,9S,15R)-15-benzyl-3-methyl-6-(2-methylsulfanylethyl)-9-propan-2-yl-13-(1,3-thiazole-4-carbonyl)-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

COCC(=O)N1[C@@H]2CC[C@H]1[C@@](C2)(CC3=CC=CC=C3)C(=O)NCC4=CSC=C4

DOS

IR

Vibrations