Geometry & MOs

Info

ID:

164188

PubChem CID:

74382237

Reduced:

O2N3C20H25 (1)

Stoich.:

A2B3C20D25 (1)

Weight, g/mol:

839.458162

ΔHf, kcal/mol:

-19.32

Dipole, Da:

10.71

IP(EA), eV:

 -8.98(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N-[1-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-2-N-[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CC1CCCN1CCCOC2=CC3=C(C=C2)C4=CC(=O)N=NC4CC3

DOS

IR

Vibrations