Geometry & MOs

Info

ID:	234037
PubChem CID:	92297579
Reduced:	OSCl3N5H24C25 (1)
Stoich.:	ABC3D5E24F25 (1)
Weight, g/mol:	196.084792
ΔH_f, kcal/mol:	49.55
Dipole, Da:	8.9
IP(EA), eV:	-8.68(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-1-[[(2S)-2-methyloxiran-2-yl]methyl]pyrimidin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)N[C@@H](C(Cl)(Cl)Cl)NC(=S)NC2=C(C=C(C=C2)N=NC3=CC=CC=C3C)C

DOS

IR

Vibrations