Geometry & MOs

Info

ID:	184492
PubChem CID:	77168699
Reduced:	N3O10C34H43 (1)
Stoich.:	A3B10C34D43 (1)
Weight, g/mol:	459.182792
ΔH_f, kcal/mol:	-353.94
Dipole, Da:	4.88
IP(EA), eV:	-8.0(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3-ethoxy-4-methoxyphenyl)-4-[(2-methylsulfanylpyrimidine-5-carbonyl)amino]cyclohexyl] acetate

Drug info:

PubChemData

Smile

COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC.C(=O)N

DOS

IR

Vibrations