Geometry & MOs

Info

ID:

181625

PubChem CID:

76766992

Reduced:

O15N21C92H139 (1)

Stoich.:

A15B21C92D139 (1)

Weight, g/mol:

503.205636

ΔHf, kcal/mol:

-689.23

Dipole, Da:

19.02

IP(EA), eV:

 -8.28(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(1,4-dihydroxy-2-oxopentan-3-yl)-4-[4-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]buta-1,3-diynyl]benzamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)NCCOCCNC(=O)CCC(=O)NCCCCC(C)C(=O)N1CCN(CC1)C2=CC3=C(C=C2)N=CN(C3=O)CC(=O)NC(CCCNC(=N)N)C(=O)NC(CC4=CNC=N4)C(=O)NC(CC5=CC=C(C=C5)O)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)N)C(=O)NC(CC6=CNC7=CC=CC=C76)C(=O)NC(C)C(C)C

DOS

IR

Vibrations