Geometry & MOs

Info

ID:	427300
PubChem CID:	135156740
Reduced:	SF3O5N6C33H35 (1)
Stoich.:	AB3C5D6E33F35 (1)
Weight, g/mol:	332.246378
ΔH_f, kcal/mol:	-245.94
Dipole, Da:	4.08
IP(EA), eV:	-8.22(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-benzyl-N-[(1R,3S)-3-(ethylamino)cyclohexyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)C3=CC4=C(NC=C4C(=O)C5=C(C=CC(=C5F)N(N6CC[C@H](C6)F)S(=O)O)F)N=C3

DOS

IR

Vibrations