Geometry & MOs

Info

ID:	45721
PubChem CID:	10516980
Reduced:	BrNSC12H12 (1)
Stoich.:	ABCD12E12 (1)
Weight, g/mol:	282.07529
ΔH_f, kcal/mol:	58.84
Dipole, Da:	6.82
IP(EA), eV:	-7.78(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-furan-2-ylmethylideneamino]-3-phenyl-1,2,4-oxadiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=[N+](C=C1)/C=C/C2=CSC=C2.[Br-]

DOS

IR

Vibrations