Geometry & MOs

Info

ID:	122356
PubChem CID:	50803614
Reduced:	FOSN4H21C23 (1)
Stoich.:	ABCD4E21F23 (1)
Weight, g/mol:	392.107375
ΔH_f, kcal/mol:	48.65
Dipole, Da:	5.75
IP(EA), eV:	-9.39(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[(4-chlorophenyl)methyl-(2-methoxyethyl)amino]methyl]-2-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

C1CC1C2=NN3C(=O)C=C(N=C3S2)CN(CC4=CC=CC=C4)CC5=CC=C(C=C5)F

DOS

IR

Vibrations