Geometry & MOs

Info

ID:	78626
PubChem CID:	49701080
Reduced:	S2N5O5C22H29 (1)
Stoich.:	A2B5C5D22E29 (1)
Weight, g/mol:	495.161011
ΔH_f, kcal/mol:	-103.42
Dipole, Da:	4.74
IP(EA), eV:	-8.52(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methoxyethyl)acetamide

Drug info:

PubChemData

Smile

COCCNC(=O)CSC1=NN=C(S1)N2CCN(CC2)C(=O)/C=C/C3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations