Geometry & MOs

Info

ID:	392251
PubChem CID:	135013910
Reduced:	NO4H17C18 (1)
Stoich.:	AB4C17D18 (1)
Weight, g/mol:	473.179815
ΔH_f, kcal/mol:	-127.08
Dipole, Da:	3.38
IP(EA), eV:	-9.74(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-benzoyloxy-2-[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(oxiran-2-yl)ethyl]-4-oxo-1H-pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CC1(C(=O)C2=C3C(=C(C=C2)CC(C(=O)O)N)C=CC=C3C1=O)C

DOS

IR

Vibrations