Geometry & MOs

Info

ID:	235076
PubChem CID:	92303993
Reduced:	N2O5C23H26 (1)
Stoich.:	A2B5C23D26 (1)
Weight, g/mol:	410.184172
ΔH_f, kcal/mol:	-158.83
Dipole, Da:	5.97
IP(EA), eV:	-8.9(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(C(=O)N[C@@H]1C2=CC=CC=C2OC)C)COC3=CC=C(C=C3)C

DOS

IR

Vibrations