Geometry & MOs

Info

ID:	31808
PubChem CID:	3719481
Reduced:	O2N3C20H21 (1)
Stoich.:	A2B3C20D21 (1)
Weight, g/mol:	501.20459
ΔH_f, kcal/mol:	7.16
Dipole, Da:	2.21
IP(EA), eV:	-7.96(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2=CC=C(C=C2)C=NN3C(=O)C4C5CC(C4C3=O)C=C5

DOS

IR

Vibrations