Geometry & MOs

Info

ID:	392994
PubChem CID:	135018845
Reduced:	O2H9C10 (2)
Stoich.:	A2B9C10 (2)
Weight, g/mol:	522.215472
ΔH_f, kcal/mol:	-103.03
Dipole, Da:	3.95
IP(EA), eV:	-8.79(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[2-[(3S,3aR,6aS)-2-methyl-4,6-dioxo-5-phenyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-3-yl]-6-methoxy-3,4-dihydronaphthalen-1-yl]benzoate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=C(CC2)C=O)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations