Geometry & MOs

Info

ID:	356439
PubChem CID:	127291512
Reduced:	SO2N5C18H29 (1)
Stoich.:	AB2C5D18E29 (1)
Weight, g/mol:	270.115047
ΔH_f, kcal/mol:	-52.12
Dipole, Da:	6.02
IP(EA), eV:	-8.87(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropylsulfonyl-3-(4-methyl-1,2,4-triazol-3-yl)piperidine

Drug info:

PubChemData

Smile

CCC(C)C(=O)N1CSCC1C(=O)N2CCN(CC2)CC3=CN(N=C3)C

DOS

IR

Vibrations