Geometry & MOs

Info

ID:	234893
PubChem CID:	92303666
Reduced:	N2O5C24H26 (1)
Stoich.:	A2B5C24D26 (1)
Weight, g/mol:	422.184172
ΔH_f, kcal/mol:	-164.73
Dipole, Da:	3.19
IP(EA), eV:	-9.38(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(C(=O)N[C@@H]1C2=CC=CC(=C2)C)C)COC3=CC=C(C=C3)C(=O)C

DOS

IR

Vibrations