Geometry & MOs

Info

ID:	46558
PubChem CID:	10525204
Reduced:	NO10C17H25 (1)
Stoich.:	AB10C17D25 (1)
Weight, g/mol:	403.210721
ΔH_f, kcal/mol:	-480.91
Dipole, Da:	4.2
IP(EA), eV:	-9.82(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-O-tert-butyl 1-O-phenyl 5-(tert-butylcarbamoyl)-2,3-dihydropyrazine-1,4-dicarboxylate

Drug info:

PubChemData

Smile

CC(=O)N[C@H]1C[C@@]([C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C)(COC(=O)C)O

DOS

IR

Vibrations