Geometry & MOs

Info

ID:	36841
PubChem CID:	8013607
Reduced:	NSO8C18H25 (1)
Stoich.:	ABC8D18E25 (1)
Weight, g/mol:	407.069114
ΔH_f, kcal/mol:	-319.21
Dipole, Da:	6.45
IP(EA), eV:	-8.91(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(2,6-dichlorophenyl)acetate

Drug info:

PubChemData

Smile

C[C@@]1(CCS(=O)(=O)C1)NC(=O)COC(=O)CC2=CC(=C(C(=C2)OC)OC)OC

DOS

IR

Vibrations