Geometry & MOs

Info

ID:	159753
PubChem CID:	57288712
Reduced:	ClO2S2N4H17C20 (1)
Stoich.:	AB2C2D4E17F20 (1)
Weight, g/mol:	316.105922
ΔH_f, kcal/mol:	16.37
Dipole, Da:	9.41
IP(EA), eV:	-8.31(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-nitroethyl)-4-[4-(2-nitroethyl)phenoxy]benzene

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC(=C1Cl)C)N(C2=CC=CC=N2)C3=NC=C4C=C(SC4=N3)C

DOS

IR

Vibrations