Geometry & MOs

Info

ID:	235839
PubChem CID:	92710802
Reduced:	SO2N5C21H27 (1)
Stoich.:	AB2C5D21E27 (1)
Weight, g/mol:	429.183461
ΔH_f, kcal/mol:	-29.54
Dipole, Da:	4.75
IP(EA), eV:	-8.08(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[(4-methoxyphenyl)methyl]-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1)C(=O)[C@@H]2CCCN(C2)C3=NN=C(S3)N4CCCCC4=O

DOS

IR

Vibrations