Geometry & MOs

Info

ID:	63971
PubChem CID:	26759590
Reduced:	SN4O5C22H28 (1)
Stoich.:	AB4C5D22E28 (1)
Weight, g/mol:	293.162708
ΔH_f, kcal/mol:	-104.71
Dipole, Da:	7.69
IP(EA), eV:	-8.9(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C

DOS

IR

Vibrations