Geometry & MOs

Info

ID:	361582
PubChem CID:	127303848
Reduced:	SO2N5C17H23 (1)
Stoich.:	AB2C5D17E23 (1)
Weight, g/mol:	336.195011
ΔH_f, kcal/mol:	-27.71
Dipole, Da:	6.12
IP(EA), eV:	-8.91(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(2,3-dihydro-1H-inden-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(SC(=O)N1CC(=O)N2CCCC(C2)C3=NN=CN3C4CC4)C

DOS

IR

Vibrations