Geometry & MOs

Info

ID:	190230
PubChem CID:	77973014
Reduced:	ClSO2N6C26H29 (1)
Stoich.:	ABC2D6E26F29 (1)
Weight, g/mol:	498.239769
ΔH_f, kcal/mol:	29.43
Dipole, Da:	9.05
IP(EA), eV:	-8.46(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]hydrazinyl]but-2-enylidene]-4-(morpholin-4-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CC(CC1=C(C=CS1)Cl)NC2=CC=NC(=O)C2=C3NC4=CC5CN(C(=O)C5=CC4=N3)C(C)CN(C)C

DOS

IR

Vibrations