Geometry & MOs

Info

ID:	328731
PubChem CID:	126727009
Reduced:	SN3O6C30H43 (1)
Stoich.:	AB3C6D30E43 (1)
Weight, g/mol:	245.199094
ΔH_f, kcal/mol:	-263.11
Dipole, Da:	6.59
IP(EA), eV:	-9.44(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(2-aminoethoxy)-2-ethyl-2-methylbutanoate

Drug info:

PubChemData

Smile

CCCCC(=O)N(C)C(CC(C1=NC(=CS1)C(=O)N[C@@H](CC2=CC=CC=C2)CC(C)C(=O)O)OC(=O)C)C(C)C

DOS

IR

Vibrations