Geometry & MOs

Info

ID:	160890
PubChem CID:	57390143
Reduced:	FSN3O3H22C23 (1)
Stoich.:	ABC3D3E22F23 (1)
Weight, g/mol:	290.093439
ΔH_f, kcal/mol:	-89.27
Dipole, Da:	6.21
IP(EA), eV:	-9.31(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(6-chloro-1H-benzimidazol-2-yl)methanone

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=CC3=C(C=C2)N=C(S3)C4=C(C=C(C=C4)CN5CC(C5)C(=O)O)F

DOS

IR

Vibrations