Geometry & MOs

Info

ID:	209850
PubChem CID:	80731310
Reduced:	S2N4O4C11H18 (1)
Stoich.:	A2B4C4D11E18 (1)
Weight, g/mol:	333.081698
ΔH_f, kcal/mol:	-69.56
Dipole, Da:	7.5
IP(EA), eV:	-8.71(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-methylpyrrolidin-1-yl)sulfonyl-3-nitro-N-propylthiophen-2-amine

Drug info:

PubChemData

Smile

CNC1=C(C=C(S1)S(=O)(=O)NC2CCCN(C2)C)[N+](=O)[O-]

DOS

IR

Vibrations