Geometry & MOs

Info

ID:	358572
PubChem CID:	127296261
Reduced:	SO2N4C15H24 (1)
Stoich.:	AB2C4D15E24 (1)
Weight, g/mol:	310.146347
ΔH_f, kcal/mol:	-29.09
Dipole, Da:	5.03
IP(EA), eV:	-8.54(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfinyl]-1-(4-methylpiperidin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1CC(CN(C1)C(=O)C(C)S(=O)C2=NNC(=N2)C3CC3)C

DOS

IR

Vibrations