Geometry & MOs

Info

ID:	447303
PubChem CID:	135281864
Reduced:	OSC14H30 (1)
Stoich.:	ABC14D30 (1)
Weight, g/mol:	313.113707
ΔH_f, kcal/mol:	-96.36
Dipole, Da:	4.66
IP(EA), eV:	-7.91(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4R)-4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCC(C)(C)S(=O)C(C)(C)CCCC

DOS

IR

Vibrations