Geometry & MOs

Info

ID:

28791

PubChem CID:

829659

Reduced:

N2O3C16H26 (1)

Stoich.:

A2B3C16D26 (1)

Weight, g/mol:

286.007995

ΔHf, kcal/mol:

-141.06

Dipole, Da:

1.1

IP(EA), eV:

-8.73(0.63)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

2-amino-4-(2-chlorophenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C(=O)[C@@]23CC[C@@](C2(C)C)(C(=O)O3)C

DOS

IR

Vibrations