Geometry & MOs

Info

ID:	40588
PubChem CID:	8144382
Reduced:	SO2N3C19H21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	396.204907
ΔH_f, kcal/mol:	-4.94
Dipole, Da:	5.03
IP(EA), eV:	-8.18(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(Z)-[[2-(4-pentylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] propanoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C3=CC=CC=C3N(C2=S)CN4CCOCC4

DOS

IR

Vibrations