Geometry & MOs

Info

ID:	358412
PubChem CID:	127295957
Reduced:	ClN2O3C19H27 (1)
Stoich.:	AB2C3D19E27 (1)
Weight, g/mol:	331.127838
ΔH_f, kcal/mol:	-135.48
Dipole, Da:	2.76
IP(EA), eV:	-8.24(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-1-ylpyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CN(CC1CCCOC1)C(=O)NC2=CC(=C(C=C2)OC3CCCC3)Cl

DOS

IR

Vibrations