Geometry & MOs

Info

ID:	39584
PubChem CID:	8141453
Reduced:	O2S2N5C18H25 (1)
Stoich.:	A2B2C5D18E25 (1)
Weight, g/mol:	407.144967
ΔH_f, kcal/mol:	-21.04
Dipole, Da:	6.66
IP(EA), eV:	-7.86(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone

Drug info:

PubChemData

Smile

CCCNC1=NN=C(S1)S[C@H](C)C(=O)NC2=CC=C(C=C2)N3CCOCC3

DOS

IR

Vibrations