Geometry & MOs

Info

ID:	169558
PubChem CID:	75120143
Reduced:	S2N5O5C19H19 (1)
Stoich.:	A2B5C5D19E19 (1)
Weight, g/mol:	368.148455
ΔH_f, kcal/mol:	-103.66
Dipole, Da:	10.39
IP(EA), eV:	-8.86(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-(4-nitrophenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC=CC(=C1)NC(=O)CCC2=CSC(=N2)NC(=O)C3C=CC(=O)N=C3

DOS

IR

Vibrations