Geometry & MOs

Info

ID:

135227

PubChem CID:

51836673

Reduced:

N3O7C25H27 (1)

Stoich.:

A3B7C25D27 (1)

Weight, g/mol:

518.229111

ΔHf, kcal/mol:

-165.64

Dipole, Da:

3.02

IP(EA), eV:

 -9.26(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

2-[[(1R)-2-(cyclohexylamino)-1-(2,4-dimethylphenyl)-2-oxoethyl]-[(5-methylfuran-2-yl)methyl]carbamoyl]-4-nitrophenolate

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@@H](C1=CC(=CC=C1)O)N(CC2=CC=C(O2)C)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])O

DOS

IR

Vibrations