Geometry & MOs

Info

ID:	140067
PubChem CID:	52639380
Reduced:	ClO2S2N3H16C20 (1)
Stoich.:	AB2C2D3E16F20 (1)
Weight, g/mol:	372.184921
ΔH_f, kcal/mol:	11.92
Dipole, Da:	5.04
IP(EA), eV:	-8.73(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-fluoro-5-[[(2S)-2-phenylbutanoyl]amino]phenyl]carbamate

Drug info:

PubChemData

Smile

CN1C(=O)C2=C(N=C1SCC3=C(C=CC(=C3)Cl)OCC4=CN=CC=C4)SC=C2

DOS

IR

Vibrations