Geometry & MOs

Info

ID:	441306
PubChem CID:	135234067
Reduced:	ClON4C14H19 (1)
Stoich.:	ABC4D14E19 (1)
Weight, g/mol:	476.202817
ΔH_f, kcal/mol:	3.12
Dipole, Da:	5.49
IP(EA), eV:	-8.68(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(1S,3S)-3-[5-[[cyclopentyl(hydroxy)methyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide

Drug info:

PubChemData

Smile

CCC(C)[C@H]1CNC(=O)C2=CC(=C(N12)/N=C(\N=C)/Cl)C

DOS

IR

Vibrations