Geometry & MOs

Info

ID:	336881
PubChem CID:	127255888
Reduced:	ClNOC29H48 (1)
Stoich.:	ABCD29E48 (1)
Weight, g/mol:	325.119523
ΔH_f, kcal/mol:	-138.34
Dipole, Da:	4.38
IP(EA), eV:	-9.27(0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-methylsulfonyloxypropanoate

Drug info:

PubChemData

Smile

CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CCC(=O)C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)C)N.Cl

DOS

IR

Vibrations