Geometry & MOs

Info

ID:	443456
PubChem CID:	135259081
Reduced:	SO4N6C24H26 (1)
Stoich.:	AB4C6D24E26 (1)
Weight, g/mol:	347.04807
ΔH_f, kcal/mol:	-85.88
Dipole, Da:	4.82
IP(EA), eV:	-8.78(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-bromo-2-nitroaniline

Drug info:

PubChemData

Smile

CC1=C2C(NC3(N2C(=O)C(=C1)NC4=C5C=C(SC5=NC=N4)C(=O)N6C[C@H]7C[C@@H]6CO7)CCCC3)O

DOS

IR

Vibrations