Geometry & MOs

Info

ID:	422397
PubChem CID:	135117760
Reduced:	N4O5C20H30 (1)
Stoich.:	A4B5C20D30 (1)
Weight, g/mol:	429.147075
ΔH_f, kcal/mol:	-213.95
Dipole, Da:	2.34
IP(EA), eV:	-9.37(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one

Drug info:

PubChemData

Smile

CN1CC(=O)N(C1=O)CC(=O)N2CCC3(CC2)CN(C(=O)CCO3)CC4CCC4

DOS

IR

Vibrations