Geometry & MOs

Info

ID:	211057
PubChem CID:	80889611
Reduced:	SN4C11H12 (1)
Stoich.:	AB4C11D12 (1)
Weight, g/mol:	266.108899
ΔH_f, kcal/mol:	76.99
Dipole, Da:	3.34
IP(EA), eV:	-8.65(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopentylsulfanyl-N-ethyl-2-nitroaniline

Drug info:

PubChemData

Smile

CCNC1=NC(=CC=C1)SC2=NC=CN=C2

DOS

IR

Vibrations