Geometry & MOs

Info

ID:	133119
PubChem CID:	51479407
Reduced:	N3O3C28H29 (1)
Stoich.:	A3B3C28D29 (1)
Weight, g/mol:	454.174001
ΔH_f, kcal/mol:	-57.22
Dipole, Da:	5.13
IP(EA), eV:	-8.45(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4R)-4-(4-methoxyphenyl)-6-[[2-(4-methoxyphenyl)acetyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)C(=O)NCC(=O)NC[C@H](C2=CC=CC=C2)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations