Geometry & MOs

Info

ID:	78625
PubChem CID:	49701079
Reduced:	S2O3N5C20H25 (1)
Stoich.:	A2B3C5D20E25 (1)
Weight, g/mol:	507.161011
ΔH_f, kcal/mol:	-30.7
Dipole, Da:	4.93
IP(EA), eV:	-8.85(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[4-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]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=CC=C3

DOS

IR

Vibrations