Geometry & MOs

Info

ID:	401380
PubChem CID:	135051104
Reduced:	NSO7C21H29 (1)
Stoich.:	ABC7D21E29 (1)
Weight, g/mol:	288.117058
ΔH_f, kcal/mol:	-257.94
Dipole, Da:	3.71
IP(EA), eV:	-9.03(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(Z)-3-amino-2-(1-morpholin-4-ium-4-ylideneethylsulfanyl)-3-phenylprop-2-enenitrile

Drug info:

PubChemData

Smile

COC(CCC(CCC1OCCO1)(C2=CN(C=C2)S(=O)(=O)C3=CC=CC=C3)O)OC

DOS

IR

Vibrations