Geometry & MOs

Info

ID:	61018
PubChem CID:	26704375
Reduced:	N4O5C24H36 (1)
Stoich.:	A4B5C24D36 (1)
Weight, g/mol:	433.124232
ΔH_f, kcal/mol:	-223.85
Dipole, Da:	5.85
IP(EA), eV:	-8.74(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(2-cyanophenyl)sulfonylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CCC2=CC(=CC(=C2)OC)OC

DOS

IR

Vibrations