Geometry & MOs

Info

ID:	285154
PubChem CID:	104098384
Reduced:	SO3N4H10C13 (1)
Stoich.:	AB3C4D10E13 (1)
Weight, g/mol:	294.04967
ΔH_f, kcal/mol:	64.45
Dipole, Da:	0.8
IP(EA), eV:	-9.17(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylsulfanyl-N-[(5-nitrothiophen-2-yl)methyl]aniline

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NCC2=CC=C(S2)[N+](=O)[O-])C3=NN=CO3

DOS

IR

Vibrations