Geometry & MOs

Info

ID:	235823
PubChem CID:	92710734
Reduced:	SO3N6C19H26 (1)
Stoich.:	AB3C6D19E26 (1)
Weight, g/mol:	418.17871
ΔH_f, kcal/mol:	-52.22
Dipole, Da:	7.78
IP(EA), eV:	-8.53(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-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

CC1=C(C(=NO1)C)CCNC(=O)[C@@H]2CCCN(C2)C3=NN=C(S3)N4CCCC4=O

DOS

IR

Vibrations