Geometry & MOs

Info

ID:

190476

PubChem CID:

78010317

Reduced:

N5O7C29H37 (1)

Stoich.:

A5B7C29D37 (1)

Weight, g/mol:

579.367222

ΔHf, kcal/mol:

-255.81

Dipole, Da:

1.6

IP(EA), eV:

 -8.78(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[butyl-[3-(dimethylamino)propyl]amino]-2-oxoethyl]-4-(2,3-dihydro-1-benzofuran-5-yl)-2-[3-[2-(hydroxymethyl)phenyl]propyl]pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC(COC(=O)OCC)NC1=NC=C(C(=N1)C2=CNC(=C2)C(=O)NC(COC(=O)OCC)C3=CC=CC(=C3)C)C

DOS

IR

Vibrations