Geometry & MOs

Info

ID:

186918

PubChem CID:

77505457

Reduced:

N5O7C39H51 (1)

Stoich.:

A5B7C39D51 (1)

Weight, g/mol:

742.357779

ΔHf, kcal/mol:

-274.73

Dipole, Da:

6.28

IP(EA), eV:

 -9.04(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[1-[[2-(cyclohexylmethoxy)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]-4-(7-methoxy-2-phenylquinolin-4-yl)oxycyclopent-2-ene-1-carbonyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CCCC(C(=O)O)NC(=O)C1CC(CN1C(=O)NC(C(C)C)C(=O)N(C)C2CCCCC2)OC3=CC(=NC4=C3C=CC(=C4)OC)C5=CC=CC=C5

DOS

IR

Vibrations