Geometry & MOs

Info

ID:	245482
PubChem CID:	99445215
Reduced:	N4O5C18H24 (1)
Stoich.:	A4B5C18D24 (1)
Weight, g/mol:	396.082702
ΔH_f, kcal/mol:	-202.75
Dipole, Da:	9.18
IP(EA), eV:	-8.59(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@]1(C(=O)N(C(=O)N1)CC(=O)NC2=CC=C(C=C2)OCC(=O)NCC)C

DOS

IR

Vibrations