Geometry & MOs

Info

ID:	122352
PubChem CID:	50803565
Reduced:	FSO2N6C25H25 (1)
Stoich.:	ABC2D6E25F25 (1)
Weight, g/mol:	480.140216
ΔH_f, kcal/mol:	-22.58
Dipole, Da:	5.33
IP(EA), eV:	-8.45(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethylphenyl)-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

CC1=C(C=C(C=C1)NC(=O)N2CCN(CC2)CC3=CC(=O)N4C(=N3)SC(=N4)C5=CC=CC=C5F)C

DOS

IR

Vibrations