Geometry & MOs

Info

ID:	415831
PubChem CID:	135088832
Reduced:	ClSN6O6C36H43 (1)
Stoich.:	ABC6D6E36F43 (1)
Weight, g/mol:	366.208947
ΔH_f, kcal/mol:	-203.49
Dipole, Da:	8.49
IP(EA), eV:	-9.12(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-2-methyl-5-propylpyrimidin-4-amine

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@@H](CN(CC(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@@H](C(=O)N1)C(C)C)C)C)CC2=CC=CC=C2)C(=O)C3=C(C=CS3)Cl)C4=CC=CC=C4

DOS

IR

Vibrations