Geometry & MOs

Info

ID:	122357
PubChem CID:	50803615
Reduced:	ClSO2N4C18H21 (1)
Stoich.:	ABC2D4E18F21 (1)
Weight, g/mol:	456.142011
ΔH_f, kcal/mol:	-9.55
Dipole, Da:	4.57
IP(EA), eV:	-9.24(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

CCC1=NN2C(=O)C=C(N=C2S1)CN(CCOC)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations