Geometry & MOs

Info

ID:	397371
PubChem CID:	135030123
Reduced:	NS2F3O5C17H18 (1)
Stoich.:	AB2C3D5E17F18 (1)
Weight, g/mol:	356.153621
ΔH_f, kcal/mol:	-328.55
Dipole, Da:	7.27
IP(EA), eV:	-9.94(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[5-(4-cyano-2-fluorophenyl)-2-methoxyphenyl]methyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC[C@@H](C(F)(F)F)OS(=O)(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations