Geometry & MOs

Info

ID:	158601
PubChem CID:	56464283
Reduced:	SN4O4C23H32 (1)
Stoich.:	AB4C4D23E32 (1)
Weight, g/mol:	446.198777
ΔH_f, kcal/mol:	-97.97
Dipole, Da:	5.06
IP(EA), eV:	-9.14(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(C3=NC(=NO3)C4CC4)C(C)C)C

DOS

IR

Vibrations