Geometry & MOs

Info

ID:	388539
PubChem CID:	134989428
Reduced:	NS2O3C10H11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	221.141579
ΔH_f, kcal/mol:	-83.07
Dipole, Da:	5.08
IP(EA), eV:	-9.49(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-1-phenylethyl] N-[(2R)-butan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)/N=C\2/OCCS2

DOS

IR

Vibrations