Geometry & MOs

Info

ID:	402071
PubChem CID:	135054148
Reduced:	FNO5C28H30 (1)
Stoich.:	ABC5D28E30 (1)
Weight, g/mol:	284.117235
ΔH_f, kcal/mol:	-227.38
Dipole, Da:	5.13
IP(EA), eV:	-9.24(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-(3-fluorophenyl)-2-nitroethyl]carbamate

Drug info:

PubChemData

Smile

CCOC(=O)[C@]([C@H](C1=CC=C(C=C1)C)NC(=O)OC(C)(C)C)(C(=O)C2=CC3=CC=CC=C3C=C2)F

DOS

IR

Vibrations