Geometry & MOs

Info

ID:	301774
PubChem CID:	123094904
Reduced:	SO2N5C20H21 (1)
Stoich.:	AB2C5D20E21 (1)
Weight, g/mol:	448.168145
ΔH_f, kcal/mol:	107.43
Dipole, Da:	10.17
IP(EA), eV:	-8.98(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-(1,2-dimethylindol-3-yl)-N-[3-[(4-nitrophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-yl]methanimine

Drug info:

PubChemData

Smile

CCCC1=NN=C(N1/N=C\C2=CC=CC=C2C)SCC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations