Geometry & MOs

Info

ID:	78627
PubChem CID:	49701083
Reduced:	S2N5O5C21H29 (1)
Stoich.:	A2B5C5D21E29 (1)
Weight, g/mol:	465.150447
ΔH_f, kcal/mol:	-120.64
Dipole, Da:	7.62
IP(EA), eV:	-8.55(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C3=NN=C(S3)SCC(=O)NCCOC

DOS

IR

Vibrations