Geometry & MOs

Info

ID:

429908

PubChem CID:

135169962

Reduced:

SF3N9H22C23 (1)

Stoich.:

AB3C9D22E23 (1)

Weight, g/mol:

526.010568

ΔHf, kcal/mol:

38.11

Dipole, Da:

9.98

IP(EA), eV:

 -8.91(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E)-2-(aminomethylidene)-3-(7-chlorothieno[2,3-c]pyridin-4-yl)imino-N-[5-chloro-6-(triazol-2-yl)pyridin-3-yl]-4,4,4-trifluorobutanamide

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1N2N=CC=N2)NC(=C)/C(=C/N)/C(=NC3=CN=C(C4=C3C=CS4)CCN)C(F)(F)F

DOS

IR

Vibrations