Geometry & MOs

Info

ID:

414778

PubChem CID:

135087741

Reduced:

S2O3N4C17H24 (1)

Stoich.:

A2B3C4D17E24 (1)

Weight, g/mol:

640.358448

ΔHf, kcal/mol:

-99.34

Dipole, Da:

6.19

IP(EA), eV:

 -8.78(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,6S,9S,15S)-6-[(4-methoxyphenyl)methyl]-3-methyl-9-(2-methylpropyl)-15-propan-2-yl-13-(3-propan-2-yl-1,2-oxazole-5-carbonyl)-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CC1=CSC(=N1)SCC(=O)N2CCCN(CC2)C(=O)C3CC(=O)N(C3)C

DOS

IR

Vibrations