Geometry & MOs

Info

ID:	60734
PubChem CID:	26697525
Reduced:	SN2O3C10H15 (2)
Stoich.:	AB2C3D10E15 (2)
Weight, g/mol:	472.133794
ΔH_f, kcal/mol:	-167.49
Dipole, Da:	5.67
IP(EA), eV:	-8.95(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 5-[4-(cyclopentylcarbamoyl)piperidin-1-yl]sulfonyl-3-methylthiophene-2,4-dicarboxylate

Drug info:

PubChemData

Smile

CSCC[C@@H](C(=O)NC1CCCC1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

DOS

IR

Vibrations