Geometry & MOs

Info

ID:	396610
PubChem CID:	135028846
Reduced:	O3C17H26 (1)
Stoich.:	A3B17C26 (1)
Weight, g/mol:	327.183444
ΔH_f, kcal/mol:	-155.83
Dipole, Da:	2.61
IP(EA), eV:	-9.58(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2-(4-methoxyanilino)-2-(4-methylphenyl)acetate

Drug info:

PubChemData

Smile

C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@H]3[C@@]2(C(=O)CC3)C)(C)C=O)O

DOS

IR

Vibrations