Geometry & MOs

Info

ID:

435197

PubChem CID:

135184006

Reduced:

F3O4N5C24H24 (1)

Stoich.:

A3B4C5D24E24 (1)

Weight, g/mol:

645.359845

ΔHf, kcal/mol:

-214.34

Dipole, Da:

14.09

IP(EA), eV:

 -8.58(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[(5Z)-2-acetamido-5-(phenylcarbamoylhydrazinylidene)pentanoyl]amino]-N-[1-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]pentanediamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)NCC2CCCCN2C(=O)NC3=CC=C(C=C3)C4=NOC(=N4)C(F)(F)F

DOS

IR

Vibrations