Geometry & MOs

Info

ID:	224706
PubChem CID:	85346992
Reduced:	N2F3O5C21H29 (1)
Stoich.:	A2B3C5D21E29 (1)
Weight, g/mol:	446.191566
ΔH_f, kcal/mol:	-387.9
Dipole, Da:	6.05
IP(EA), eV:	-9.54(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,4-dimethyl-7-phenylmethoxy-4a,5,6,10b-tetrahydrobenzo[h][1,3]benzoxathiin-2-yl)-phenylmethanol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CC(CCCN(C)C(=O)C(F)(F)F)NC(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations