Geometry & MOs

Info

ID:	391499
PubChem CID:	135005938
Reduced:	NO4C12H15 (1)
Stoich.:	AB4C12D15 (1)
Weight, g/mol:	302.028266
ΔH_f, kcal/mol:	-75.1
Dipole, Da:	6.55
IP(EA), eV:	-10.15(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(1,1,3,3-tetraoxo-1lambda6,3lambda6-benzodithiol-2-yl)pentanal

Drug info:

PubChemData

Smile

CC(C)[C@@H](C=O)[C@H](C1=CC=C(C=C1)[N+](=O)[O-])O

DOS

IR

Vibrations