Geometry & MOs

Info

ID:

180355

PubChem CID:

76620423

Reduced:

N12O19C85H118 (1)

Stoich.:

A12B19C85D118 (1)

Weight, g/mol:

580.310829

ΔHf, kcal/mol:

-794.99

Dipole, Da:

3.05

IP(EA), eV:

 -9.04(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-3-[3-[3-methyl-4-[[5-propan-2-yl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-pyrazol-4-yl]methyl]phenoxy]propylamino]propanamide

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(C(C)OC(C)(C)C)C(=O)NCC(=O)NC(CC(=O)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC(COC(C)(C)C)C(=O)O)NC(=O)C(CCCN(C(=N)NC(=O)OCC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5)NC(=O)C(CC(C)C)NC(=O)C(C(C(C)C)O)NC(=O)OC(C)(C)C

DOS

IR

Vibrations