Geometry & MOs

Info

ID:	234892
PubChem CID:	92303665
Reduced:	N2O3C23H26 (1)
Stoich.:	A2B3C23D26 (1)
Weight, g/mol:	422.184172
ΔH_f, kcal/mol:	-75.81
Dipole, Da:	4.51
IP(EA), eV:	-8.6(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (6R)-4-[(4-acetylphenoxy)methyl]-3-methyl-6-(3-methylphenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC(C)CCNC(=O)C[C@H](C1=CC2=C(C=C1)OCO2)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations