Geometry & MOs

Info

ID:

173362

PubChem CID:

75627799

Reduced:

N5O7C36H37 (1)

Stoich.:

A5B7C36D37 (1)

Weight, g/mol:

673.282823

ΔHf, kcal/mol:

-113.01

Dipole, Da:

3.79

IP(EA), eV:

 -8.77(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[(4-methylphenyl)methoxy]phenyl]methyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-phenylphenyl)propanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)COC2=CC=C(C=C2)COC(=O)C(CCCN=C(N)N[N+](=O)[O-])NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

DOS

IR

Vibrations