Geometry & MOs

Info

ID:	195658
PubChem CID:	78718502
Reduced:	N3O4C24H27 (1)
Stoich.:	A3B4C24D27 (1)
Weight, g/mol:	401.177313
ΔH_f, kcal/mol:	-80.79
Dipole, Da:	2.97
IP(EA), eV:	-9.02(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=CC=C2)C)CN(C)C(=O)C=CC3=CC=C(O3)CCC(=O)OC

DOS

IR

Vibrations