Geometry & MOs

Info

ID:	138374
PubChem CID:	52357187
Reduced:	N2O4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	361.076409
ΔH_f, kcal/mol:	-126.18
Dipole, Da:	4.38
IP(EA), eV:	-8.36(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1R)-1-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3-cyclopropyl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1CNC(=O)[C@@H]2CC(=O)N(C2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations