Geometry & MOs

Info

ID:

419156

PubChem CID:

135107615

Reduced:

N2O5H22C23 (1)

Stoich.:

A2B5C22D23 (1)

Weight, g/mol:

662.379183

ΔHf, kcal/mol:

-142.8

Dipole, Da:

5.37

IP(EA), eV:

 -9.45(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,9S,12S,15R)-9-benzyl-7-[5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]-3-methyl-12-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,11,14-tetrone

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CC(=C1)C(=O)N2C[C@H]([C@@H](C2)O)CC3=CC=NC4=CC=CC=C34)O

DOS

IR

Vibrations