Geometry & MOs

Info

ID:	191341
PubChem CID:	78134233
Reduced:	SN4O4C50H54 (1)
Stoich.:	AB4C4D50E54 (1)
Weight, g/mol:	1805.64095
ΔH_f, kcal/mol:	3.85
Dipole, Da:	5.76
IP(EA), eV:	-7.95(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCCCCCCCOC1=C(C2=NSN=C2C(=C1OCCCCCCCC)C3=CC=C(C=C3)N(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=C(C=C6)C=C(C#N)C(=O)O

DOS

IR

Vibrations