Geometry & MOs

Info

ID:	85072
PubChem CID:	49871584
Reduced:	NSO3C12H15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	468.244664
ΔH_f, kcal/mol:	-96.22
Dipole, Da:	1.76
IP(EA), eV:	-8.5(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2-[[(2S)-1-hydroxy-3-methyl-1,1-diphenylbutan-2-yl]carbamothioyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C1=C2C(=CS1)OCCO2)N3CCCC3=O

DOS

IR

Vibrations