Geometry & MOs

Info

ID:	235828
PubChem CID:	92710741
Reduced:	SO2N7C21H31 (1)
Stoich.:	AB2C7D21E31 (1)
Weight, g/mol:	470.246396
ΔH_f, kcal/mol:	-39.37
Dipole, Da:	6.73
IP(EA), eV:	-8.37(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[3-(N-ethyl-3-methylanilino)propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCN1C(=C(C(=N1)C)CCNC(=O)[C@H]2CCCN(C2)C3=NN=C(S3)N4CCCC4=O)C

DOS

IR

Vibrations