Geometry & MOs

Info

ID:

177684

PubChem CID:

76215290

Reduced:

FN4O8C30H31 (1)

Stoich.:

AB4C8D30E31 (1)

Weight, g/mol:

643.264213

ΔHf, kcal/mol:

-315.42

Dipole, Da:

16.08

IP(EA), eV:

 -8.58(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[6-[[[2-[[2-(2,2-dimethylpropanoylamino)-3-naphthalen-2-ylpropanoyl]amino]acetyl]amino]methyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid

Drug info:

PubChemData

Smile

CN(C)C1C2CC3CC4=C(C=C(C(=C4C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O)O)NC(=O)C5=CC=C(C=C5)N(C)C)F

DOS

IR

Vibrations