Geometry & MOs

Info

ID:

448959

PubChem CID:

135294772

Reduced:

N2C13H14 (1)

Stoich.:

A2B13C14 (1)

Weight, g/mol:

652.091101

ΔHf, kcal/mol:

66.39

Dipole, Da:

2.18

IP(EA), eV:

-7.78(0.08)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

N-[2-[[2-[[2-[[(4-oxocyclohexa-2,5-dien-1-ylidene)-sulfanylmethyl]amino]ethanethioyl]amino]ethanethioyl]amino]ethyl]-3-[3-[[(4-oxocyclohexa-2,5-dien-1-ylidene)-sulfanylmethyl]amino]propanethioylamino]propanethioamide

Drug info:

PubChemData

Smile

CC1C(=C(N1)C)C2=CC3=C(C=C2)NC=C3

DOS

IR

Vibrations