Geometry & MOs

Info

ID:	158437
PubChem CID:	56463642
Reduced:	O2N5C25H31 (1)
Stoich.:	A2B5C25D31 (1)
Weight, g/mol:	480.159804
ΔH_f, kcal/mol:	33.46
Dipole, Da:	5.74
IP(EA), eV:	-9.11(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)/C=C/C(=O)NC(C3=NC(=NO3)C4CC4)C(C)C)C

DOS

IR

Vibrations