Geometry & MOs

Info

ID:	303037
PubChem CID:	124489131
Reduced:	ClNSO3C16H22 (1)
Stoich.:	ABCD3E16F22 (1)
Weight, g/mol:	331.07391
ΔH_f, kcal/mol:	-125.45
Dipole, Da:	6.57
IP(EA), eV:	-8.93(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(R)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiadiazole-5-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](OC1)CN(CC2=CC=CC=C2Cl)[C@@H]3CCS(=O)(=O)C3

DOS

IR

Vibrations