Geometry & MOs

Info

ID:	336414
PubChem CID:	127255421
Reduced:	SN2O5C28H32 (1)
Stoich.:	AB2C5D28E32 (1)
Weight, g/mol:	356.190006
ΔH_f, kcal/mol:	-175.44
Dipole, Da:	1.96
IP(EA), eV:	-8.06(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[4-(2-fluoroethyl)phenyl]-1,3-dihydroisoindol-5-yl]carbamate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC=C(C=C2)N3CC4=C(C3)C=C(C=C4)NC(=O)OC(C)(C)C

DOS

IR

Vibrations