Geometry & MOs

Info

ID:

229163

PubChem CID:

87567084

Reduced:

N3O5H29C30 (1)

Stoich.:

A3B5C29D30 (1)

Weight, g/mol:

511.210721

ΔHf, kcal/mol:

-59.05

Dipole, Da:

6.78

IP(EA), eV:

 -9.25(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[[(E)-3-[4-[(Z)-3-(cyclopropylamino)-2-(3-methoxyphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]amino]methyl]-N-hydroxybenzamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)/C(=C\C2=CC=C(C=C2)C=CC(=O)NCC3=CC=C(C=C3)C(=O)NO)/C(=O)NC4CC4

DOS

IR

Vibrations