Geometry & MOs

Info

ID:	121699
PubChem CID:	50778004
Reduced:	ClSO3N4H17C21 (1)
Stoich.:	ABC3D4E17F21 (1)
Weight, g/mol:	482.141262
ΔH_f, kcal/mol:	-17.5
Dipole, Da:	5.98
IP(EA), eV:	-9.2(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCC(=O)NCC2=CC(=O)N3C(=N2)SC(=N3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations