Geometry & MOs

Info

ID:	235822
PubChem CID:	92710732
Reduced:	SO2N5C16H25 (1)
Stoich.:	AB2C5D16E25 (1)
Weight, g/mol:	418.17871
ΔH_f, kcal/mol:	-64.62
Dipole, Da:	3.83
IP(EA), eV:	-8.24(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@@H]1CCCN(C1)C2=NN=C(S2)N3CCCC3=O

DOS

IR

Vibrations