Geometry & MOs

Info

ID:	280965
PubChem CID:	103852213
Reduced:	NO3C16H29 (1)
Stoich.:	AB3C16D29 (1)
Weight, g/mol:	321.160994
ΔH_f, kcal/mol:	-179.08
Dipole, Da:	5.45
IP(EA), eV:	-9.65(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S,3S)-3-methyl-2-(2-methylsulfonylpropanoylamino)pentanoate

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)NC(=O)C1CC1(C)C

DOS

IR

Vibrations