Geometry & MOs

Info

ID:

416498

PubChem CID:

135089513

Reduced:

O3N4C20H26 (1)

Stoich.:

A3B4C20D26 (1)

Weight, g/mol:

625.322397

ΔHf, kcal/mol:

-85.96

Dipole, Da:

1.82

IP(EA), eV:

 -8.65(0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5R,8R)-2-benzyl-14-(1,3-dimethyl-2,6-dioxopyrimidine-4-carbonyl)-5-methyl-8-propan-2-yl-1,4,7,10,14-pentazacyclooctadecane-3,6,9,18-tetrone

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N(C)C)N2CC[C@]([C@H](C2)O)(CC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations