Geometry & MOs

Info

ID:	398157
PubChem CID:	135032042
Reduced:	N2S2Cl3C17H21 (1)
Stoich.:	A2B2C3D17E21 (1)
Weight, g/mol:	295.189592
ΔH_f, kcal/mol:	-5.63
Dipole, Da:	3.94
IP(EA), eV:	-8.63(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-3-cyano-1-(cyclohexylamino)-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCCCSC1=C2C(=CC(=N1)Cl)C(=C(N=C2SCCCC)Cl)CCl

DOS

IR

Vibrations