Geometry & MOs

Info

ID:	380785
PubChem CID:	134971346
Reduced:	NO3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	377.169451
ΔH_f, kcal/mol:	-39.8
Dipole, Da:	2.42
IP(EA), eV:	-9.9(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-7-(2-ethyl-1,3-dithiolan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)[C@@]1(CC[C@]2(N1O2)C3=CC=CC=C3)CCC=C

DOS

IR

Vibrations