Geometry & MOs

Info

ID:	38598
PubChem CID:	8137181
Reduced:	N4O5C15H18 (1)
Stoich.:	A4B5C15D18 (1)
Weight, g/mol:	347.111735
ΔH_f, kcal/mol:	-100.72
Dipole, Da:	7.66
IP(EA), eV:	-10.02(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] (2R)-2-phenoxypropanoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCC(=O)NC1CC1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations