Geometry & MOs

Info

ID:	63442
PubChem CID:	26758355
Reduced:	SCl2O3N5H19C21 (1)
Stoich.:	AB2C3D5E19F21 (1)
Weight, g/mol:	350.144199
ΔH_f, kcal/mol:	-36.34
Dipole, Da:	4.37
IP(EA), eV:	-9.06(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] 2,4-difluorobenzoate

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)NC4=CC=C(C=C4)Cl)Cl

DOS

IR

Vibrations