Geometry & MOs

Info

ID:	402348
PubChem CID:	135055628
Reduced:	SN2O4C16H20 (1)
Stoich.:	AB2C4D16E20 (1)
Weight, g/mol:	298.132885
ΔH_f, kcal/mol:	-127.77
Dipole, Da:	4.6
IP(EA), eV:	-8.93(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1S,2S)-1-(2-fluorophenyl)-2-nitropropyl]carbamate

Drug info:

PubChemData

Smile

CCOC(=O)C(C1CSCCC1=O)NNC(=O)C2=CC=CC=C2

DOS

IR

Vibrations