Geometry & MOs

Info

ID:

282766

PubChem CID:

103938211

Reduced:

SN5C12H17 (1)

Stoich.:

AB5C12D17 (1)

Weight, g/mol:

312.025475

ΔHf, kcal/mol:

66.64

Dipole, Da:

6.7

IP(EA), eV:

-8.94(-0.62)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(1R)-1-[5-(3,4-dichlorophenyl)sulfanylpyridin-2-yl]propan-1-amine

Drug info:

PubChemData

Smile

CC[C@@H](C1=NC=C(C=C1)SC2=NN=C(N2C)C)N

DOS

IR

Vibrations