Geometry & MOs

Info

ID:	53548
PubChem CID:	14716583
Reduced:	ClSN2O4C33H33 (1)
Stoich.:	ABC2D4E33F33 (1)
Weight, g/mol:	488.268845
ΔH_f, kcal/mol:	152.55
Dipole, Da:	14.6
IP(EA), eV:	-8.16(-2.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[4-(4-octylphenyl)phenyl]imidazo[1,2-b][1,2,4]triazin-7-yl]-phenyldiazene

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)/C=C/C=C/C2=CC(=S(C3=CC=CC=C32)OCl(=O)(=O)=O)/C=C/C=C/C4=CC=C(C=C4)N(C)C

DOS

IR

Vibrations