Geometry & MOs

Info

ID:	135475
PubChem CID:	51877637
Reduced:	FSO2N3C19H24 (1)
Stoich.:	ABC2D3E19F24 (1)
Weight, g/mol:	481.214761
ΔH_f, kcal/mol:	-80.86
Dipole, Da:	2.19
IP(EA), eV:	-8.77(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methyl-2,4-dioxo-7-propan-2-yl-1-propylpyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)CSC1=NN=C(N1C[C@@H]2CCCO2)C3=CC=C(C=C3)F

DOS

IR

Vibrations