Geometry & MOs

Info

ID:	33219
PubChem CID:	7885465
Reduced:	SN3O3C23H29 (1)
Stoich.:	AB3C3D23E29 (1)
Weight, g/mol:	362.184172
ΔH_f, kcal/mol:	-100.84
Dipole, Da:	9.43
IP(EA), eV:	-8.34(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate

Drug info:

PubChemData

Smile

C[C@@H]1CCC2=C(C1)SC3=C2C(=O)N(C=N3)CC(=O)C4=C(N(C(=C4)C)CCCOC)C

DOS

IR

Vibrations