Geometry & MOs

Info

ID:	157923
PubChem CID:	56459044
Reduced:	O2S2N5H19C22 (1)
Stoich.:	A2B2C5D19E22 (1)
Weight, g/mol:	389.160023
ΔH_f, kcal/mol:	58.69
Dipole, Da:	7.21
IP(EA), eV:	-8.8(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide

Drug info:

PubChemData

Smile

CN(C)C(=O)SC1=CC=CC=C1NC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC=CC=C4

DOS

IR

Vibrations