Geometry & MOs

Info

ID:	235825
PubChem CID:	92710736
Reduced:	SO2N6C22H26 (1)
Stoich.:	AB2C6D22E26 (1)
Weight, g/mol:	453.194694
ΔH_f, kcal/mol:	-12.1
Dipole, Da:	3.75
IP(EA), eV:	-8.12(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C2=NN=C(S2)N3CCCC3=O)C(=O)NCCC4=CNC5=CC=CC=C54

DOS

IR

Vibrations