Geometry & MOs

Info

ID:

441334

PubChem CID:

135234194

Reduced:

O2S2N11C26H33 (1)

Stoich.:

A2B2C11D26E33 (1)

Weight, g/mol:

453.198066

ΔHf, kcal/mol:

70.46

Dipole, Da:

13.15

IP(EA), eV:

 -8.45(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R)-2-[[(E)-1-methoxybut-1-enyl]amino]-1-[[5-[(1S,3S)-3-[5-(methylamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]amino]propan-1-ol

Drug info:

PubChemData

Smile

CN(C)C1=CC=CC(=N1)CC(=O)NC2=NNN(S2)[C@H]3CCC(C3)C4=NN=C(S4)NC(=O)CC5=NC(=CC=C5)N(C)C

DOS

IR

Vibrations