Geometry & MOs

Info

ID:	285152
PubChem CID:	104098381
Reduced:	SN2O3C13H14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	327.034748
ΔH_f, kcal/mol:	0.46
Dipole, Da:	6.44
IP(EA), eV:	-8.41(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(5-nitrothiophen-2-yl)methylamino]phenyl]methanesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC)NCC2=CC=C(S2)[N+](=O)[O-]

DOS

IR

Vibrations