Geometry & MOs

Info

ID:	122353
PubChem CID:	50803574
Reduced:	O2S2N6C23H24 (1)
Stoich.:	A2B2C6D23E24 (1)
Weight, g/mol:	494.153638
ΔH_f, kcal/mol:	31.62
Dipole, Da:	4.11
IP(EA), eV:	-8.56(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)N2CCN(CC2)CC3=CC(=O)N4C(=N3)SC(=N4)C5=CC=CS5

DOS

IR

Vibrations