Geometry & MOs

Info

ID:	122345
PubChem CID:	50803437
Reduced:	ClO2S2N6H23C24 (1)
Stoich.:	AB2C2D6E23F24 (1)
Weight, g/mol:	498.096637
ΔH_f, kcal/mol:	34.7
Dipole, Da:	4.45
IP(EA), eV:	-8.45(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylsulfanylphenyl)-4-[(5-oxo-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CSC1=CC=CC(=C1)NC(=O)N2CCN(CC2)CC3=CC(=O)N4C(=N3)SC(=N4)C5=CC=CC=C5Cl

DOS

IR

Vibrations