Geometry & MOs

Info

ID:	400061
PubChem CID:	135044922
Reduced:	BrNSO2H12C13 (1)
Stoich.:	ABCD2E12F13 (1)
Weight, g/mol:	188.120115
ΔH_f, kcal/mol:	-42.34
Dipole, Da:	4.69
IP(EA), eV:	-9.6(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5R)-6-phenylbicyclo[3.2.0]heptan-6-ol

Drug info:

PubChemData

Smile

CCC(C(=O)O)SC1=CC2=CC(=CN=C2C=C1)Br

DOS

IR

Vibrations