Geometry & MOs

Info

ID:

168516

PubChem CID:

74982009

Reduced:

N2O3C36H50 (1)

Stoich.:

A2B3C36D50 (1)

Weight, g/mol:

495.240307

ΔHf, kcal/mol:

-126.33

Dipole, Da:

12.74

IP(EA), eV:

 -9.35(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 5-[3-[(carbamothioylhydrazinylidene)methyl]-4-(5-methoxy-4,4-dimethyl-5-oxopentoxy)phenoxy]-2,2-dimethylpentanoate

Drug info:

PubChemData

Smile

CC1(CCC2(CCC3(C(C2C1)C(=O)C=C4C3(CCC5C4(C=C(C(=O)C5(C)C)C#N)C)C)C)C(=O)N6CCCCC6)C

DOS

IR

Vibrations