Geometry & MOs

Info

ID:	392816
PubChem CID:	135018043
Reduced:	NO2H17C22 (1)
Stoich.:	AB2C17D22 (1)
Weight, g/mol:	373.200156
ΔH_f, kcal/mol:	45.85
Dipole, Da:	4.99
IP(EA), eV:	-8.52(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3aR,4R,6aS)-5-benzyl-2-methyl-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-4-yl]methyl]carbamate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NC(=O)C2=CC=CC=C2C#CC3=CC=CC=C3

DOS

IR

Vibrations