Geometry & MOs

Info

ID:

173111

PubChem CID:

75598297

Reduced:

N5O6H21C22 (1)

Stoich.:

A5B6C21D22 (1)

Weight, g/mol:

708.331171

ΔHf, kcal/mol:

-147.81

Dipole, Da:

5.76

IP(EA), eV:

 -9.07(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[14-methyl-10-[(2-naphthalen-1-ylacetyl)amino]-9,15-dioxo-2-oxa-8,14-diazatricyclo[14.3.1.04,8]icosa-1(19),16(20),17-trien-6-yl]-2-(4-phenylphenyl)acetamide

Drug info:

PubChemData

Smile

C1CC(=O)NC2=C1C=CC(=C2)N3CCOC(C3=O)C(C(=O)NC4=CC5=C(C=C4)C(=NO5)N)O

DOS

IR

Vibrations