Geometry & MOs

Info

ID:	235829
PubChem CID:	92710745
Reduced:	SO2N6C24H34 (1)
Stoich.:	AB2C6D24E34 (1)
Weight, g/mol:	434.246396
ΔH_f, kcal/mol:	-37.37
Dipole, Da:	8.09
IP(EA), eV:	-8.18(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CCCNC(=O)[C@H]1CCCN(C1)C2=NN=C(S2)N3CCCC3=O)C4=CC=CC(=C4)C

DOS

IR

Vibrations