Geometry & MOs

Info

ID:	194234
PubChem CID:	78502420
Reduced:	N5O5C13H14 (1)
Stoich.:	A5B5C13D14 (1)
Weight, g/mol:	303.104148
ΔH_f, kcal/mol:	-143.52
Dipole, Da:	4.24
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.855223
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide

Drug info:

PubChemData

Smile

CN1C(=O)C(C(=O)N(C1=O)C)C=NC(CC2=CN=CN2)C(=O)[O-]

DOS

IR

Vibrations