Geometry & MOs

Info

ID:	314692
PubChem CID:	126622751
Reduced:	FSCl2N3O4H36C42 (1)
Stoich.:	ABC2D3E4F36G42 (1)
Weight, g/mol:	157.146664
ΔH_f, kcal/mol:	-61.03
Dipole, Da:	4.54
IP(EA), eV:	-8.93(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bicyclo[3.1.0]hexan-6-amine;propan-2-ol

Drug info:

PubChemData

Smile

C1CC1C2=NC3=C(N2C4CCN(CC4)S(=O)(=O)C5=CC(=C(C=C5)C(=O)C(C6=CC=CC=C6)O)F)C=C(C=C3)C(C7=CC=C(C=C7)Cl)C8=CC=C(C=C8)Cl

DOS

IR

Vibrations