Geometry & MOs

Info

ID:	149415
PubChem CID:	53789088
Reduced:	F3O3N5H16C25 (1)
Stoich.:	A3B3C5D16E25 (1)
Weight, g/mol:	253.077265
ΔH_f, kcal/mol:	-88.59
Dipole, Da:	6.64
IP(EA), eV:	-9.01(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[(1S)-1-[(2R)-oxiran-2-yl]-2-phenylsulfanylethyl]carbamate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CN=CN2)NC(=C3C4=C(C=CC(=C4)[N+](=O)[O-])NC3=O)C5=CC=C(C=C5)C(F)(F)F

DOS

IR

Vibrations