Geometry & MOs

Info

ID:	61062
PubChem CID:	26705024
Reduced:	SN5O5C15H15 (1)
Stoich.:	AB5C5D15E15 (1)
Weight, g/mol:	433.076613
ΔH_f, kcal/mol:	-136.55
Dipole, Da:	3.85
IP(EA), eV:	-8.96(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[1-(4-cyanophenyl)sulfonylpiperidine-4-carbonyl]amino]thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)NC3=C(SC=C3)C(=O)OC

DOS

IR

Vibrations