Geometry & MOs

Info

ID:	49470
PubChem CID:	11533066
Reduced:	N2S2O5C23H30 (1)
Stoich.:	A2B2C5D23E30 (1)
Weight, g/mol:	478.330777
ΔH_f, kcal/mol:	-194.25
Dipole, Da:	7.75
IP(EA), eV:	-9.36(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[[2-(2,6-diethylphenyl)-4-methyl-6-piperidin-1-ylpyrimidin-5-yl]methyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)CC1=C(SC(=N1)NC(=O)[C@H](CC2CCCC2)C3=CC=C(C=C3)S(=O)(=O)C)C

DOS

IR

Vibrations