Geometry & MOs

Info

ID:	235827
PubChem CID:	92710740
Reduced:	SO2N7C21H31 (1)
Stoich.:	AB2C7D21E31 (1)
Weight, g/mol:	445.225994
ΔH_f, kcal/mol:	-36.97
Dipole, Da:	2.95
IP(EA), eV:	-8.22(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-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

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

DOS

IR

Vibrations