Geometry & MOs

Info

ID:	176754
PubChem CID:	76094563
Reduced:	N3O4C27H31 (1)
Stoich.:	A3B4C27D31 (1)
Weight, g/mol:	501.218509
ΔH_f, kcal/mol:	-129.14
Dipole, Da:	8.71
IP(EA), eV:	-8.76(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-benzyl-3-[1-(2,6-dimethylmorpholin-4-yl)-2-methyl-1-oxopropan-2-yl]sulfonylpropanoate

Drug info:

PubChemData

Smile

CC(C)(CC(=O)NC)CNC(=O)C(CC(=O)O)N1C=CC(=C1)C2=CC=C(C=C2)C3=CC=CC=C3

DOS

IR

Vibrations