Geometry & MOs

Info

ID:	143888
PubChem CID:	53274978
Reduced:	NSC12H19 (1)
Stoich.:	ABC12D19 (1)
Weight, g/mol:	413.091966
ΔH_f, kcal/mol:	2.33
Dipole, Da:	1.83
IP(EA), eV:	-8.76(0.06)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[4-(2-formyl-4-nitrophenyl)sulfanyl-3-propan-2-yloxadiazol-3-ium-5-yl]benzamide

Drug info:

PubChemData

Smile

CC(C1=CSC=C1)NC2CCCCC2

DOS

IR

Vibrations