Geometry & MOs

Info

ID:	189013
PubChem CID:	77803329
Reduced:	O2Cl4N8C33H44 (1)
Stoich.:	A2B4C8D33E44 (1)
Weight, g/mol:	416.101763
ΔH_f, kcal/mol:	-143.26
Dipole, Da:	8.28
IP(EA), eV:	-8.07(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylsulfonyl-6-propyl-6-[4-(trifluoromethyl)benzoyl]-2,6a-dihydro-1H-pyrrolo[3,2-b]pyrrol-5-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)N)CNC(=O)C2CCC3=CN=C(C(=O)N23)NCC(C4=CC=C(C=C4)N(C)C)C5=CC=C(C=C5)N(C)C.Cl.Cl.Cl.Cl

DOS

IR

Vibrations