Geometry & MOs

Info

ID:	50395
PubChem CID:	12012925
Reduced:	N2O3C18H22 (1)
Stoich.:	A2B3C18D22 (1)
Weight, g/mol:	442.07036
ΔH_f, kcal/mol:	-126.39
Dipole, Da:	4.37
IP(EA), eV:	-9.78(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S,6aR)-3a-[bromo(difluoro)methyl]-5-tert-butyl-2-ethyl-6-phenyl-6,6a-dihydropyrrolo[3,4-c]pyrrole-1,3,4-trione

Drug info:

PubChemData

Smile

CCN1C(=O)[C@@H]2[C@H](N(C(=O)C2C1=O)C(C)(C)C)C3=CC=CC=C3

DOS

IR

Vibrations