Geometry & MOs

Info

ID:	40378
PubChem CID:	8144017
Reduced:	SN2O2H22C25 (1)
Stoich.:	AB2C2D22E25 (1)
Weight, g/mol:	388.05349
ΔH_f, kcal/mol:	-2.68
Dipole, Da:	5.45
IP(EA), eV:	-8.9(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromophenyl)-N'-[(Z)-pyridin-3-ylmethylideneamino]pentanediamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N2C(=O)CS[C@@]23C4=CC=CC=C4N(C3=O)CC5=CC=CC=C5

DOS

IR

Vibrations