Geometry & MOs

Info

ID:	51494
PubChem CID:	12014171
Reduced:	BrF2N2O3C18H19 (1)
Stoich.:	AB2C2D3E18F19 (1)
Weight, g/mol:	340.178693
ΔH_f, kcal/mol:	-177.99
Dipole, Da:	4.29
IP(EA), eV:	-9.75(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S,6aS)-5-cyclohexyl-2-ethyl-6-phenyl-6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-1,3,4-trione

Drug info:

PubChemData

Smile

CCN1C(=O)[C@H]2[C@H](N(C(=O)C2(C1=O)C(F)(F)Br)C(C)C)C3=CC=CC=C3

DOS

IR

Vibrations