Geometry & MOs

Info

ID:	77386
PubChem CID:	48427447
Reduced:	SN2O4C20H24 (1)
Stoich.:	AB2C4D20E24 (1)
Weight, g/mol:	359.163377
ΔH_f, kcal/mol:	-105.89
Dipole, Da:	9.9
IP(EA), eV:	-9.38(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methylphenyl)methyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-prop-2-ynylpropanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN(CC#C)C(=O)C2CC(=O)N(C2)C3CCS(=O)(=O)C3

DOS

IR

Vibrations