Geometry & MOs

Info

ID:	78624
PubChem CID:	49701078
Reduced:	S2O3N5C24H27 (1)
Stoich.:	A2B3C5D24E27 (1)
Weight, g/mol:	447.139882
ΔH_f, kcal/mol:	-17.37
Dipole, Da:	8.27
IP(EA), eV:	-8.98(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyethyl)-2-[[5-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

COCCNC(=O)CSC1=NN=C(S1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4

DOS

IR

Vibrations