Geometry & MOs

Info

ID:	235832
PubChem CID:	92710751
Reduced:	SO2N6C19H30 (1)
Stoich.:	AB2C6D19E30 (1)
Weight, g/mol:	422.246396
ΔH_f, kcal/mol:	-58.89
Dipole, Da:	3.11
IP(EA), eV:	-8.31(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)CCCNC(=O)[C@H]2CCCN(C2)C3=NN=C(S3)N4CCCC4=O

DOS

IR

Vibrations