Geometry & MOs

Info

ID:

135019

PubChem CID:

51799025

Reduced:

N3O6C30H37 (1)

Stoich.:

A3B6C30D37 (1)

Weight, g/mol:

430.283158

ΔHf, kcal/mol:

-132.79

Dipole, Da:

7.75

IP(EA), eV:

 -9.31(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1R)-1-(furan-2-yl)-2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-3-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CN([C@@H](C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC(C)(C)CC(C)(C)C)C(=O)C3=CC=CC=C3OC

DOS

IR

Vibrations