Geometry & MOs

Info

ID:	395994
PubChem CID:	135027168
Reduced:	N2O2C7H9 (2)
Stoich.:	A2B2C7D9 (2)
Weight, g/mol:	441.167046
ΔH_f, kcal/mol:	-64.22
Dipole, Da:	7.94
IP(EA), eV:	-8.94(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(1-morpholin-4-ium-4-ylidene-2-phenylethyl)sulfanyl-1-morpholin-4-yl-2-phenylethanethione

Drug info:

PubChemData

Smile

C[C@]1(C2=C(C(=C(C=C2N(C1=O)C)OC)OC)OC)CN=[N+]=[N-]

DOS

IR

Vibrations