Geometry & MOs

Info

ID:	164160
PubChem CID:	74382119
Reduced:	ClSO2N6C22H27 (1)
Stoich.:	ABC2D6E22F27 (1)
Weight, g/mol:	471.216949
ΔH_f, kcal/mol:	5.28
Dipole, Da:	8.79
IP(EA), eV:	-8.78(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-[(4-fluorophenyl)methylamino]-4-hydroxy-1,2,3,4,4a,9b-hexahydrodibenzofuran-1-carbonyl]amino]ethyl N-ethylcarbamate

Drug info:

PubChemData

Smile

CC1=NN=C(N1C2CCNN2)C3=C(C=CC(=C3)Cl)NS(=O)(=O)C4=CC=C(C=C4)C(C)(C)C

DOS

IR

Vibrations