Geometry & MOs

Info

ID:	326244
PubChem CID:	126687223
Reduced:	ClFON7C18H23 (1)
Stoich.:	ABCD7E18F23 (1)
Weight, g/mol:	380.167083
ΔH_f, kcal/mol:	26.08
Dipole, Da:	7.04
IP(EA), eV:	-8.1(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6aR)-2-(2H-benzotriazol-5-ylsulfanylmethyl)-5-benzyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-ol

Drug info:

PubChemData

Smile

C[C@@]1(CCCC[C@@H]1NC2=NC(=NC=C2F)C3=CN(C4C3=CC(=CN4)Cl)N)ON

DOS

IR

Vibrations