Geometry & MOs

Info

ID:	78602
PubChem CID:	49700725
Reduced:	O2S2N5C20H25 (1)
Stoich.:	A2B2C5D20E25 (1)
Weight, g/mol:	495.11656
ΔH_f, kcal/mol:	-13.57
Dipole, Da:	4.24
IP(EA), eV:	-9.08(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-cyclopentylacetamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)CSC2=NN=C(S2)N3CCN(CC3)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations