Geometry & MOs

Info

ID:	31828
PubChem CID:	3720002
Reduced:	BrNSO3H20C21 (1)
Stoich.:	ABCD3E20F21 (1)
Weight, g/mol:	472.122356
ΔH_f, kcal/mol:	-47.38
Dipole, Da:	4.7
IP(EA), eV:	-9.0(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-1-(5-chlorothiophen-2-yl)-5-cyclohexyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Br)CCNS(=O)(=O)C2=CC=C(C=C2)C3=CC=CC=C3

DOS

IR

Vibrations