Geometry & MOs

Info

ID:	369456
PubChem CID:	127333438
Reduced:	ON5C23H33 (1)
Stoich.:	AB5C23D33 (1)
Weight, g/mol:	389.16856
ΔH_f, kcal/mol:	-2.34
Dipole, Da:	3.4
IP(EA), eV:	-8.41(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluorophenyl)-5-[(3-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,3,4-thiadiazole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)C(C)N3CCCC(C3)N4CCCC4

DOS

IR

Vibrations