Geometry & MOs

Info

ID:	235826
PubChem CID:	92710738
Reduced:	SO2N7C22H27 (1)
Stoich.:	AB2C7D22E27 (1)
Weight, g/mol:	445.225994
ΔH_f, kcal/mol:	-17.12
Dipole, Da:	7.22
IP(EA), eV:	-8.33(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(N2)CCNC(=O)[C@@H]3CCCN(C3)C4=NN=C(S4)N5CCCC5=O

DOS

IR

Vibrations