Geometry & MOs

Info

ID:

186917

PubChem CID:

77505427

Reduced:

N3O7C38H49 (1)

Stoich.:

A3B7C38D49 (1)

Weight, g/mol:

701.378849

ΔHf, kcal/mol:

-258.36

Dipole, Da:

4.81

IP(EA), eV:

 -9.35(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[1-[[1-[cyclohexyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-2-carbonyl]amino]pentanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CCCCCC=C)C(=O)N1CC(CC1C(=O)NC2(CC2C=C)C(=O)O)(C3=CC=C(C=C3)C4=CC=CC=C4)OC

DOS

IR

Vibrations