Geometry & MOs

Info

ID:	318627
PubChem CID:	126652365
Reduced:	ClNO2C14H20 (1)
Stoich.:	ABC2D14E20 (1)
Weight, g/mol:	323.128821
ΔH_f, kcal/mol:	-97.81
Dipole, Da:	5.62
IP(EA), eV:	-8.86(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-1-(4-chlorophenyl)-4-oxohex-5-en-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)([C@H]1CNC(CO1)CC2=CC=C(C=C2)Cl)O

DOS

IR

Vibrations