Geometry & MOs

Info

ID:	425774
PubChem CID:	135127915
Reduced:	SO2N5H21C25 (1)
Stoich.:	AB2C5D21E25 (1)
Weight, g/mol:	409.172104
ΔH_f, kcal/mol:	91.39
Dipole, Da:	6.26
IP(EA), eV:	-9.05(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-fluorophenyl)-4-ethyl-2-methyl-N'-[(3Z)-3-(prop-2-enylideneamino)penta-1,3-dien-2-yl]benzenecarboximidamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC2=C(C=C1)SC(=N2)NC3=NC(=NC4=C3C/C=C(\C=C/C4)/OC)C5=CN=CC=C5

DOS

IR

Vibrations