Geometry & MOs

Info

ID:	378528
PubChem CID:	134224615
Reduced:	SO2N3F6C12H13 (1)
Stoich.:	AB2C3D6E12F13 (1)
Weight, g/mol:	309.174022
ΔH_f, kcal/mol:	-319.71
Dipole, Da:	3.71
IP(EA), eV:	-8.73(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(8-fluoro-7-methyl-3,4-dihydro-1H-isochromen-1-yl)methyl]-N-methylcarbamate

Drug info:

PubChemData

Smile

CC1(C(C(=NO1)SCC2=C(N(N=C2C(F)(F)F)C)OC(F)F)F)C

DOS

IR

Vibrations