Geometry & MOs

Info

ID:	78506
PubChem CID:	49693435
Reduced:	SN3O4C16H21 (1)
Stoich.:	AB3C4D16E21 (1)
Weight, g/mol:	269.047027
ΔH_f, kcal/mol:	-142.06
Dipole, Da:	4.92
IP(EA), eV:	-9.71(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(5-nitrothiophene-2-carbonyl)piperazin-2-one

Drug info:

PubChemData

Smile

CC1C(=O)NCCN1C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

DOS

IR

Vibrations