Geometry & MOs

Info

ID:	27468
PubChem CID:	821501
Reduced:	NS2C14H19 (1)
Stoich.:	AB2C14D19 (1)
Weight, g/mol:	317.112404
ΔH_f, kcal/mol:	49.12
Dipole, Da:	2.82
IP(EA), eV:	-7.94(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[(4-amino-1,2,5-oxadiazol-3-yl)-morpholin-4-ylmethylidene]amino] benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C2=C(CC2=NC(C)(C)C)SC

DOS

IR

Vibrations