Geometry & MOs

Info

ID:	432104
PubChem CID:	135172236
Reduced:	SO2F6N8C29H32 (1)
Stoich.:	AB2C6D8E29F32 (1)
Weight, g/mol:	358.262028
ΔH_f, kcal/mol:	-280.11
Dipole, Da:	8.92
IP(EA), eV:	-8.81(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1S,2R)-2-[3-amino-4-[cyclohexyl(2-methylpropyl)amino]phenyl]cyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)CN(C1CCN(CC1)C2=NC(=NS2)C(F)(F)F)C3=C(C=C(C=C3)C4=CC=CC=C4C(=O)OC)N=C(N)/N=C(/C(F)(F)F)\N

DOS

IR

Vibrations