Geometry & MOs

Info

ID:

448896

PubChem CID:

135294371

Reduced:

SO2N6C28H46 (1)

Stoich.:

AB2C6D28E46 (1)

Weight, g/mol:

519.310393

ΔHf, kcal/mol:

-73.76

Dipole, Da:

6.28

IP(EA), eV:

 -8.01(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3Z)-3-hydrazinyl-3-hydrazinylidene-N-[1-(5-methoxythiophen-2-yl)-3-[methyl-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)hex-1-en-2-yl]amino]propyl]propanamide

Drug info:

PubChemData

Smile

CCC(CC(=C)N(C)CCC(C1=CC=C(S1)NC(=O)C)NC(=O)C2CCCC2)N(C(=N)C)C(=N)C(C)C

DOS

IR

Vibrations