Geometry & MOs

Info

ID:

187863

PubChem CID:

77635686

Reduced:

N3O3C32H47 (1)

Stoich.:

A3B3C32D47 (1)

Weight, g/mol:

731.23701

ΔHf, kcal/mol:

-151.18

Dipole, Da:

5.79

IP(EA), eV:

 -9.35(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 5-[6-[(1-benzylcyclopropyl)carbamoyl]-7-[4-[3-(2-bromo-5-fluorophenoxy)propyl]phenyl]-3,9-diazabicyclo[3.3.1]non-6-en-3-yl]-5-oxopentanoate

Drug info:

PubChemData

Smile

CCCN(CCC)C(=O)C1=CC=CC(=C1)C(=O)NCC(CC(C)C(=O)NCCC(C)(C)C)C2=CC=CC=C2

DOS

IR

Vibrations