Geometry & MOs

Info

ID:	417793
PubChem CID:	135102772
Reduced:	SO5N7C37H49 (1)
Stoich.:	AB5C7D37E49 (1)
Weight, g/mol:	338.174276
ΔH_f, kcal/mol:	-176.88
Dipole, Da:	8.65
IP(EA), eV:	-9.0(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-methyl-5-propylpyrimidin-4-amine

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N1)CC3=CC=CC=C3)CC4=C(C=CC=C4C)C)C)C)C(C)C

DOS

IR

Vibrations